4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]benzene-1,2-diol

C21H26O3 — CID 139833129

IUPAC4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]benzene-1,2-diol
SMILESCCCC1CCC(c2ccc(O)cc2)(c2ccc(O)c(O)c2)CC1
InChIInChI=1S/C21H26O3/c1-2-3-15-10-12-21(13-11-15,16-4-7-18(22)8-5-16)17-6-9-19(23)20(24)14-17/h4-9,14-15,22-24H,2-3,10-13H2,1H3
InChIKeyANHGGLDTWGKENX-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.08
Rot. Bonds4

About 4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]benzene-1,2-diol

4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]benzene-1,2-diol (PubChem CID 139833129) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]benzene-1,2-diol
PubChem CID139833129
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]benzene-1,2-diol
SMILESCCCC1CCC(c2ccc(O)cc2)(c2ccc(O)c(O)c2)CC1
InChIInChI=1S/C21H26O3/c1-2-3-15-10-12-21(13-11-15,16-4-7-18(22)8-5-16)17-6-9-19(23)20(24)14-17/h4-9,14-15,22-24H,2-3,10-13H2,1H3
InChIKeyANHGGLDTWGKENX-UHFFFAOYSA-N
XLogP5.08
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]benzene-1,2-diol 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

4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol
CID 11034267
(1-phenyl-4-propylcyclohexyl)benzene
CID 22919269
4-[4-[8-[4,4-bis(4-hydroxy-3-methylphenyl)cyclohexyl]octyl]-1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol
CID 121241213
4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol
CID 19873605
4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 19873642
2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexyl]phenol
CID 139952304
4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 59283725
4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 158636490
4-[1-(3,4-difluorophenyl)-4-methylcyclohexyl]phenol
CID 149126952
4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol
CID 2303370
2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]phenol
CID 142700630
4-(4-propylpiperidin-1-yl)phenol
CID 165358736

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]benzene-1,2-diol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]benzene-1,2-diol (CID 139833129) is 4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]benzene-1,2-diol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]benzene-1,2-diol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]benzene-1,2-diol is CCCC1CCC(c2ccc(O)cc2)(c2ccc(O)c(O)c2)CC1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]benzene-1,2-diol?
The InChIKey is ANHGGLDTWGKENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3/c1-2-3-15-10-12-21(13-11-15,16-4-7-18(22)8-5-16)17-6-9-19(23)20(24)14-17/h4-9,14-15,22-24H,2-3,10-13H2,1H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]benzene-1,2-diol?
4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]benzene-1,2-diol has a molecular weight of 326.44 g/mol, XLogP of 5.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]benzene-1,2-diol is sourced from PubChem (CID 139833129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).