TL;DR: 6-hydroxyspiro[chromene-2,1'-cyclohexan]-4(3H)-one (CAS 135110-68-8) is a chemical compound with molecular formula C14H16O3 and molecular weight 232.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
Also Known As: 6-hydroxyspiro[chromene-2,1'-cyclohexan]-4(3H)-one, 6-Hydroxyspiro[chroman-2,1'-cyclohexan]-4-one, 6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one, 6-Hydroxyspiro[chromane-2,1'-cyclohexan]-4-one, 6-hydroxyspiro[chromane-2,1'-cyclohexane]-4-one
| Molecular Formula | C14H16O3 |
| Molecular Weight | 232.10994 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.10994 Da |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
| SMILES | C1CCC2(CC1)CC(=O)C3=C(O2)C=CC(=C3)O |
| InChIKey | MWAGQRLEBNHEKW-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-hydroxyspiro[chromene-2,1'-cyclohexan]-4(3H)-one. With a topological polar surface area (TPSA) of 46.5 Ų, 6-hydroxyspiro[chromene-2,1'-cyclohexan]-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-hydroxyspiro[chromene-2,1'-cyclohexan]-4(3H)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-hydroxyspiro[chromene-2,1'-cyclohexan]-4(3H)-one is 135110-68-8.
The molecular formula of 6-hydroxyspiro[chromene-2,1'-cyclohexan]-4(3H)-one is C14H16O3.
The molecular weight of 6-hydroxyspiro[chromene-2,1'-cyclohexan]-4(3H)-one is 232.10994 g/mol.
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