4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol

C21H24O2 — CID 177260768

IUPAC4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol
SMILESC=CCC1CCC(Oc2ccc(-c3ccc(O)cc3)cc2)CC1
InChIInChI=1S/C21H24O2/c1-2-3-16-4-12-20(13-5-16)23-21-14-8-18(9-15-21)17-6-10-19(22)11-7-17/h2,6-11,14-16,20,22H,1,3-5,12-13H2
InChIKeyTYIGZJGQXFWMQA-UHFFFAOYSA-N
MW308.42 g/mol
LogP5.57
Rot. Bonds5

About 4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol

4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol (PubChem CID 177260768) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol.

Molecular Properties

Compound Name4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol
PubChem CID177260768
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol
SMILESC=CCC1CCC(Oc2ccc(-c3ccc(O)cc3)cc2)CC1
InChIInChI=1S/C21H24O2/c1-2-3-16-4-12-20(13-5-16)23-21-14-8-18(9-15-21)17-6-10-19(22)11-7-17/h2,6-11,14-16,20,22H,1,3-5,12-13H2
InChIKeyTYIGZJGQXFWMQA-UHFFFAOYSA-N
XLogP5.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol?
The IUPAC name of 4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol (CID 177260768) is 4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol.
What is the SMILES notation for 4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol?
The canonical SMILES for 4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol is C=CCC1CCC(Oc2ccc(-c3ccc(O)cc3)cc2)CC1.
What is the InChIKey of 4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol?
The InChIKey is TYIGZJGQXFWMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-2-3-16-4-12-20(13-5-16)23-21-14-8-18(9-15-21)17-6-10-19(22)11-7-17/h2,6-11,14-16,20,22H,1,3-5,12-13H2.
What are the key properties of 4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol?
4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol has a molecular weight of 308.42 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-prop-2-enylcyclohexyl)oxyphenyl]phenol is sourced from PubChem (CID 177260768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).