2-cyclohexyl-3-[9-(2-cyclohexyl-3-hydroxy-4-methylphenyl)fluoren-9-yl]-6-methylphenol

C39H42O2 — CID 118133374

IUPAC2-cyclohexyl-3-[9-(2-cyclohexyl-3-hydroxy-4-methylphenyl)fluoren-9-yl]-6-methylphenol
SMILESCc1ccc(C2(c3ccc(C)c(O)c3C3CCCCC3)c3ccccc3-c3ccccc32)c(C2CCCCC2)c1O
InChIInChI=1S/C39H42O2/c1-25-21-23-33(35(37(25)40)27-13-5-3-6-14-27)39(31-19-11-9-17-29(31)30-18-10-12-20-32(30)39)34-24-22-26(2)38(41)36(34)28-15-7-4-8-16-28/h9-12,17-24,27-28,40-41H,3-8,13-16H2,1-2H3
InChIKeyUMMZDLQDSUNXOQ-UHFFFAOYSA-N
MW542.76 g/mol
LogP10.17
Rot. Bonds4

About 2-cyclohexyl-3-[9-(2-cyclohexyl-3-hydroxy-4-methylphenyl)fluoren-9-yl]-6-methylphenol

2-cyclohexyl-3-[9-(2-cyclohexyl-3-hydroxy-4-methylphenyl)fluoren-9-yl]-6-methylphenol (PubChem CID 118133374) has the molecular formula C39H42O2 and a molecular weight of 542.76 g/mol. Its IUPAC name is 2-cyclohexyl-3-[9-(2-cyclohexyl-3-hydroxy-4-methylphenyl)fluoren-9-yl]-6-methylphenol.

Molecular Properties

Compound Name2-cyclohexyl-3-[9-(2-cyclohexyl-3-hydroxy-4-methylphenyl)fluoren-9-yl]-6-methylphenol
PubChem CID118133374
Molecular FormulaC39H42O2
Molecular Weight542.76 g/mol
Exact Mass542.32
IUPAC Name2-cyclohexyl-3-[9-(2-cyclohexyl-3-hydroxy-4-methylphenyl)fluoren-9-yl]-6-methylphenol
SMILESCc1ccc(C2(c3ccc(C)c(O)c3C3CCCCC3)c3ccccc3-c3ccccc32)c(C2CCCCC2)c1O
InChIInChI=1S/C39H42O2/c1-25-21-23-33(35(37(25)40)27-13-5-3-6-14-27)39(31-19-11-9-17-29(31)30-18-10-12-20-32(30)39)34-24-22-26(2)38(41)36(34)28-15-7-4-8-16-28/h9-12,17-24,27-28,40-41H,3-8,13-16H2,1-2H3
InChIKeyUMMZDLQDSUNXOQ-UHFFFAOYSA-N
XLogP10.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.76
LogP ≤ 510.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol
CID 91418467
6-[9-(2-hydroxy-3,4-dimethylphenyl)fluoren-9-yl]-2,3-dimethylphenol
CID 139903469
2,6-dicyclohexyl-3-methylphenol
CID 3022567
3-cyclohexyl-6-methylbenzene-1,2-diol
CID 150190518
10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one
CID 139722204
1,2,3-tricyclohexyl-4-methylbenzene
CID 173149758
2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476
4-[9-(4-amino-3-cyclohexylphenyl)fluoren-9-yl]-2-cyclohexylaniline
CID 171774476
2-cyclohexyl-4-(2-hydroxyphenyl)-6-methylphenol;ethane
CID 174887026
3-cyclohexyl-1,2-difluoro-4-methylbenzene
CID 131994497
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
2-ethyl-4-[9-(3-ethyl-2,4-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol
CID 154338119

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[9-(2-cyclohexyl-3-hydroxy-4-methylphenyl)fluoren-9-yl]-6-methylphenol?
The IUPAC name of 2-cyclohexyl-3-[9-(2-cyclohexyl-3-hydroxy-4-methylphenyl)fluoren-9-yl]-6-methylphenol (CID 118133374) is 2-cyclohexyl-3-[9-(2-cyclohexyl-3-hydroxy-4-methylphenyl)fluoren-9-yl]-6-methylphenol.
What is the SMILES notation for 2-cyclohexyl-3-[9-(2-cyclohexyl-3-hydroxy-4-methylphenyl)fluoren-9-yl]-6-methylphenol?
The canonical SMILES for 2-cyclohexyl-3-[9-(2-cyclohexyl-3-hydroxy-4-methylphenyl)fluoren-9-yl]-6-methylphenol is Cc1ccc(C2(c3ccc(C)c(O)c3C3CCCCC3)c3ccccc3-c3ccccc32)c(C2CCCCC2)c1O.
What is the InChIKey of 2-cyclohexyl-3-[9-(2-cyclohexyl-3-hydroxy-4-methylphenyl)fluoren-9-yl]-6-methylphenol?
The InChIKey is UMMZDLQDSUNXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42O2/c1-25-21-23-33(35(37(25)40)27-13-5-3-6-14-27)39(31-19-11-9-17-29(31)30-18-10-12-20-32(30)39)34-24-22-26(2)38(41)36(34)28-15-7-4-8-16-28/h9-12,17-24,27-28,40-41H,3-8,13-16H2,1-2H3.
What are the key properties of 2-cyclohexyl-3-[9-(2-cyclohexyl-3-hydroxy-4-methylphenyl)fluoren-9-yl]-6-methylphenol?
2-cyclohexyl-3-[9-(2-cyclohexyl-3-hydroxy-4-methylphenyl)fluoren-9-yl]-6-methylphenol has a molecular weight of 542.76 g/mol, XLogP of 10.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[9-(2-cyclohexyl-3-hydroxy-4-methylphenyl)fluoren-9-yl]-6-methylphenol is sourced from PubChem (CID 118133374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).