2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol

C19H30O — CID 114334467

IUPAC2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CCCCc2ccccc2)C1
InChIInChI=1S/C19H30O/c1-15(2)17-12-13-19(20)18(14-17)11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,15,17-20H,6-7,10-14H2,1-2H3
InChIKeyOANADPFBUPWLQP-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.83
Rot. Bonds6

About 2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol

2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 114334467) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID114334467
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CCCCc2ccccc2)C1
InChIInChI=1S/C19H30O/c1-15(2)17-12-13-19(20)18(14-17)11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,15,17-20H,6-7,10-14H2,1-2H3
InChIKeyOANADPFBUPWLQP-UHFFFAOYSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol
CID 55194345
3-(2-bromo-5-propan-2-ylcyclohexyl)propylbenzene
CID 63473396
2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol
CID 83161089
2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol
CID 104649029
[(1S,2S)-2,5-di(propan-2-yl)cyclohexyl]methylbenzene
CID 158591556
3-(4-phenylbutyl)oxan-4-ol
CID 106471164
2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol
CID 80694968
2-(2-hydroxy-2-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol
CID 79423639
2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol
CID 79423024
2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol
CID 63459622
2-ethyl-4-propan-2-ylcyclohexan-1-ol
CID 58534339
2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol
CID 142188842

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol (CID 114334467) is 2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(CCCCc2ccccc2)C1.
What is the InChIKey of 2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is OANADPFBUPWLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-15(2)17-12-13-19(20)18(14-17)11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,15,17-20H,6-7,10-14H2,1-2H3.
What are the key properties of 2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol?
2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 274.45 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 114334467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).