4-[3-(4-hydroxyphenyl)propyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol

C20H24O3 — CID 10913975

IUPAC4-[3-(4-hydroxyphenyl)propyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
SMILESCC(C)=CCc1c(O)ccc(CCCc2ccc(O)cc2)c1O
InChIInChI=1S/C20H24O3/c1-14(2)6-12-18-19(22)13-9-16(20(18)23)5-3-4-15-7-10-17(21)11-8-15/h6-11,13,21-23H,3-5,12H2,1-2H3
InChIKeyWZEOJTUGVWIAGT-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.49
Rot. Bonds6

About 4-[3-(4-hydroxyphenyl)propyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol

4-[3-(4-hydroxyphenyl)propyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol (PubChem CID 10913975) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)propyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-[3-(4-hydroxyphenyl)propyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
PubChem CID10913975
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name4-[3-(4-hydroxyphenyl)propyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
SMILESCC(C)=CCc1c(O)ccc(CCCc2ccc(O)cc2)c1O
InChIInChI=1S/C20H24O3/c1-14(2)6-12-18-19(22)13-9-16(20(18)23)5-3-4-15-7-10-17(21)11-8-15/h6-11,13,21-23H,3-5,12H2,1-2H3
InChIKeyWZEOJTUGVWIAGT-UHFFFAOYSA-N
XLogP4.49
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[3-(4-hydroxyphenyl)propyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol 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-[3-(4-hydroxyphenyl)propyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol?
The IUPAC name of 4-[3-(4-hydroxyphenyl)propyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol (CID 10913975) is 4-[3-(4-hydroxyphenyl)propyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol.
What is the SMILES notation for 4-[3-(4-hydroxyphenyl)propyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol?
The canonical SMILES for 4-[3-(4-hydroxyphenyl)propyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol is CC(C)=CCc1c(O)ccc(CCCc2ccc(O)cc2)c1O.
What is the InChIKey of 4-[3-(4-hydroxyphenyl)propyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol?
The InChIKey is WZEOJTUGVWIAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-14(2)6-12-18-19(22)13-9-16(20(18)23)5-3-4-15-7-10-17(21)11-8-15/h6-11,13,21-23H,3-5,12H2,1-2H3.
What are the key properties of 4-[3-(4-hydroxyphenyl)propyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol?
4-[3-(4-hydroxyphenyl)propyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol has a molecular weight of 312.41 g/mol, XLogP of 4.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyphenyl)propyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol is sourced from PubChem (CID 10913975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).