4-[9-(4-hydroxy-3,5-dimethylcyclohexyl)fluoren-9-yl]-2,6-dimethylcyclohexan-1-ol

C29H38O2 — CID 139824851

IUPAC4-[9-(4-hydroxy-3,5-dimethylcyclohexyl)fluoren-9-yl]-2,6-dimethylcyclohexan-1-ol
SMILESCC1CC(C2(C3CC(C)C(O)C(C)C3)c3ccccc3-c3ccccc32)CC(C)C1O
InChIInChI=1S/C29H38O2/c1-17-13-21(14-18(2)27(17)30)29(22-15-19(3)28(31)20(4)16-22)25-11-7-5-9-23(25)24-10-6-8-12-26(24)29/h5-12,17-22,27-28,30-31H,13-16H2,1-4H3
InChIKeyOQUZNIPBALQUHV-UHFFFAOYSA-N
MW418.62 g/mol
LogP6.04
Rot. Bonds2

About 4-[9-(4-hydroxy-3,5-dimethylcyclohexyl)fluoren-9-yl]-2,6-dimethylcyclohexan-1-ol

4-[9-(4-hydroxy-3,5-dimethylcyclohexyl)fluoren-9-yl]-2,6-dimethylcyclohexan-1-ol (PubChem CID 139824851) has the molecular formula C29H38O2 and a molecular weight of 418.62 g/mol. Its IUPAC name is 4-[9-(4-hydroxy-3,5-dimethylcyclohexyl)fluoren-9-yl]-2,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[9-(4-hydroxy-3,5-dimethylcyclohexyl)fluoren-9-yl]-2,6-dimethylcyclohexan-1-ol
PubChem CID139824851
Molecular FormulaC29H38O2
Molecular Weight418.62 g/mol
Exact Mass418.29
IUPAC Name4-[9-(4-hydroxy-3,5-dimethylcyclohexyl)fluoren-9-yl]-2,6-dimethylcyclohexan-1-ol
SMILESCC1CC(C2(C3CC(C)C(O)C(C)C3)c3ccccc3-c3ccccc32)CC(C)C1O
InChIInChI=1S/C29H38O2/c1-17-13-21(14-18(2)27(17)30)29(22-15-19(3)28(31)20(4)16-22)25-11-7-5-9-23(25)24-10-6-8-12-26(24)29/h5-12,17-22,27-28,30-31H,13-16H2,1-4H3
InChIKeyOQUZNIPBALQUHV-UHFFFAOYSA-N
XLogP6.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.62
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxycyclohexyl)fluoren-9-yl]cyclohexan-1-ol
CID 139824935
spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]
CID 123717351
(2R,3R,4S,5S)-2,3,4,5-tetramethylspiro[cyclopentane-1,9'-fluorene]
CID 153440114
2,2-bis(2-methylphenyl)adamantane
CID 173019574
N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 166050353
(9,9-dicyclopentylfluoren-2-yl)boronic acid
CID 86036873
N-(4-tert-butylphenyl)-N-methylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 155041617
CID 129037961
CID 129037961
CID 131971247
CID 131971247
(3'R)-3'-methylspiro[fluorene-9,2'-oxirane]
CID 101107078
2,4-diphenyl-6-[2-(2-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-1,3,5-triazine
CID 164811663
9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-hydroxy-3,5-dimethylcyclohexyl)fluoren-9-yl]-2,6-dimethylcyclohexan-1-ol?
The IUPAC name of 4-[9-(4-hydroxy-3,5-dimethylcyclohexyl)fluoren-9-yl]-2,6-dimethylcyclohexan-1-ol (CID 139824851) is 4-[9-(4-hydroxy-3,5-dimethylcyclohexyl)fluoren-9-yl]-2,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for 4-[9-(4-hydroxy-3,5-dimethylcyclohexyl)fluoren-9-yl]-2,6-dimethylcyclohexan-1-ol?
The canonical SMILES for 4-[9-(4-hydroxy-3,5-dimethylcyclohexyl)fluoren-9-yl]-2,6-dimethylcyclohexan-1-ol is CC1CC(C2(C3CC(C)C(O)C(C)C3)c3ccccc3-c3ccccc32)CC(C)C1O.
What is the InChIKey of 4-[9-(4-hydroxy-3,5-dimethylcyclohexyl)fluoren-9-yl]-2,6-dimethylcyclohexan-1-ol?
The InChIKey is OQUZNIPBALQUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38O2/c1-17-13-21(14-18(2)27(17)30)29(22-15-19(3)28(31)20(4)16-22)25-11-7-5-9-23(25)24-10-6-8-12-26(24)29/h5-12,17-22,27-28,30-31H,13-16H2,1-4H3.
What are the key properties of 4-[9-(4-hydroxy-3,5-dimethylcyclohexyl)fluoren-9-yl]-2,6-dimethylcyclohexan-1-ol?
4-[9-(4-hydroxy-3,5-dimethylcyclohexyl)fluoren-9-yl]-2,6-dimethylcyclohexan-1-ol has a molecular weight of 418.62 g/mol, XLogP of 6.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-hydroxy-3,5-dimethylcyclohexyl)fluoren-9-yl]-2,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 139824851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).