4-[2-(cycloocten-1-yl)propan-2-yl]phenol

C17H24O — CID 174631352

IUPAC4-[2-(cycloocten-1-yl)propan-2-yl]phenol
SMILESCC(C)(C1=CCCCCCC1)c1ccc(O)cc1
InChIInChI=1S/C17H24O/c1-17(2,15-10-12-16(18)13-11-15)14-8-6-4-3-5-7-9-14/h8,10-13,18H,3-7,9H2,1-2H3
InChIKeyJOLABEVQAQYCLL-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.95
Rot. Bonds2

About 4-[2-(cycloocten-1-yl)propan-2-yl]phenol

4-[2-(cycloocten-1-yl)propan-2-yl]phenol (PubChem CID 174631352) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-[2-(cycloocten-1-yl)propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-(cycloocten-1-yl)propan-2-yl]phenol
PubChem CID174631352
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name4-[2-(cycloocten-1-yl)propan-2-yl]phenol
SMILESCC(C)(C1=CCCCCCC1)c1ccc(O)cc1
InChIInChI=1S/C17H24O/c1-17(2,15-10-12-16(18)13-11-15)14-8-6-4-3-5-7-9-14/h8,10-13,18H,3-7,9H2,1-2H3
InChIKeyJOLABEVQAQYCLL-UHFFFAOYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[2-(cycloocten-1-yl)propan-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1E)-cyclododecen-1-yl]propan-2-ol
CID 88736896
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
CID 634278
disodium bisphenol-A
CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
4-[1-[(1E)-cycloocten-1-yl]-1-hydroxyethyl]benzonitrile
CID 106651452
1-(cyclohexen-1-yl)-1-phenylethanol
CID 538858
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;ethane
CID 91392325
disodium;hydride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 173033429
carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
CID 20695639
1-(cyclohexen-1-yl)ethane-1,1-diamine
CID 22286699
1-[(1E)-cycloocten-1-yl]-1-(3-methylphenyl)ethanol
CID 106650804

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cycloocten-1-yl)propan-2-yl]phenol?
The IUPAC name of 4-[2-(cycloocten-1-yl)propan-2-yl]phenol (CID 174631352) is 4-[2-(cycloocten-1-yl)propan-2-yl]phenol.
What is the SMILES notation for 4-[2-(cycloocten-1-yl)propan-2-yl]phenol?
The canonical SMILES for 4-[2-(cycloocten-1-yl)propan-2-yl]phenol is CC(C)(C1=CCCCCCC1)c1ccc(O)cc1.
What is the InChIKey of 4-[2-(cycloocten-1-yl)propan-2-yl]phenol?
The InChIKey is JOLABEVQAQYCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-17(2,15-10-12-16(18)13-11-15)14-8-6-4-3-5-7-9-14/h8,10-13,18H,3-7,9H2,1-2H3.
What are the key properties of 4-[2-(cycloocten-1-yl)propan-2-yl]phenol?
4-[2-(cycloocten-1-yl)propan-2-yl]phenol has a molecular weight of 244.38 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cycloocten-1-yl)propan-2-yl]phenol is sourced from PubChem (CID 174631352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).