BRN 1406589

3-[5-(4-fluorophenyl)-3-methylpentan-2-yl]-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol

CAS: 54540-72-6

Molecular Formula	`C28H35FO2`
Molecular Weight	422.6 g/mol
LogP	7.2
Topological Polar Surface Area	29.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	422.26212
Heavy Atoms	31
Complexity	647.0

Chemical Identifiers

CAS Number	54540-72-6
SMILES	`CC1CCC2=C(C1)C3=C(C=C(C=C3OC2(C)C)C(C)C(C)CCC4=CC=C(C=C4)F)O`
InChIKey	`VHIAIDUNUBQPPZ-UHFFFAOYSA-N`

📖 Product Overview

BRN 1406589 (CAS: 54540-72-6) is a chemical compound with molecular formula C28H35FO2 and molecular weight 422.6 g/mol. Its IUPAC systematic name is 3-[5-(4-fluorophenyl)-3-methylpentan-2-yl]-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol. LogP 7.2 Topological Polar Surface Area 29.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 5 Exact Mass 422.26212 Heavy Atoms 31 Complexity 647.0 InChI Key: VHIAIDUNUBQPPZ-UHFFFAOYSA-N. SMILES: CC1CCC2=C(C1)C3=C(C=C(C=C3OC2(C)C)C(C)C(C)CCC4=CC=C(C=C4)F)O.

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