3-[5-(2-butyl-5-hydroxyphenyl)-3,3-dimethoxypentyl]-4-methylphenol

C24H34O4 — CID 134510319

IUPAC3-[5-(2-butyl-5-hydroxyphenyl)-3,3-dimethoxypentyl]-4-methylphenol
SMILESCCCCc1ccc(O)cc1CCC(CCc1cc(O)ccc1C)(OC)OC
InChIInChI=1S/C24H34O4/c1-5-6-7-19-9-11-23(26)17-21(19)13-15-24(27-3,28-4)14-12-20-16-22(25)10-8-18(20)2/h8-11,16-17,25-26H,5-7,12-15H2,1-4H3
InChIKeySSPQHTDSAUSVTO-UHFFFAOYSA-N
MW386.53 g/mol
LogP5.30
Rot. Bonds11

About 3-[5-(2-butyl-5-hydroxyphenyl)-3,3-dimethoxypentyl]-4-methylphenol

3-[5-(2-butyl-5-hydroxyphenyl)-3,3-dimethoxypentyl]-4-methylphenol (PubChem CID 134510319) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is 3-[5-(2-butyl-5-hydroxyphenyl)-3,3-dimethoxypentyl]-4-methylphenol.

Molecular Properties

Compound Name3-[5-(2-butyl-5-hydroxyphenyl)-3,3-dimethoxypentyl]-4-methylphenol
PubChem CID134510319
Molecular FormulaC24H34O4
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Name3-[5-(2-butyl-5-hydroxyphenyl)-3,3-dimethoxypentyl]-4-methylphenol
SMILESCCCCc1ccc(O)cc1CCC(CCc1cc(O)ccc1C)(OC)OC
InChIInChI=1S/C24H34O4/c1-5-6-7-19-9-11-23(26)17-21(19)13-15-24(27-3,28-4)14-12-20-16-22(25)10-8-18(20)2/h8-11,16-17,25-26H,5-7,12-15H2,1-4H3
InChIKeySSPQHTDSAUSVTO-UHFFFAOYSA-N
XLogP5.30
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.53
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-[5-(2-butyl-5-hydroxyphenyl)-3,3-dimethoxypentyl]-4-methylphenol 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 3-[5-(2-butyl-5-hydroxyphenyl)-3,3-dimethoxypentyl]-4-methylphenol?
The IUPAC name of 3-[5-(2-butyl-5-hydroxyphenyl)-3,3-dimethoxypentyl]-4-methylphenol (CID 134510319) is 3-[5-(2-butyl-5-hydroxyphenyl)-3,3-dimethoxypentyl]-4-methylphenol.
What is the SMILES notation for 3-[5-(2-butyl-5-hydroxyphenyl)-3,3-dimethoxypentyl]-4-methylphenol?
The canonical SMILES for 3-[5-(2-butyl-5-hydroxyphenyl)-3,3-dimethoxypentyl]-4-methylphenol is CCCCc1ccc(O)cc1CCC(CCc1cc(O)ccc1C)(OC)OC.
What is the InChIKey of 3-[5-(2-butyl-5-hydroxyphenyl)-3,3-dimethoxypentyl]-4-methylphenol?
The InChIKey is SSPQHTDSAUSVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O4/c1-5-6-7-19-9-11-23(26)17-21(19)13-15-24(27-3,28-4)14-12-20-16-22(25)10-8-18(20)2/h8-11,16-17,25-26H,5-7,12-15H2,1-4H3.
What are the key properties of 3-[5-(2-butyl-5-hydroxyphenyl)-3,3-dimethoxypentyl]-4-methylphenol?
3-[5-(2-butyl-5-hydroxyphenyl)-3,3-dimethoxypentyl]-4-methylphenol has a molecular weight of 386.53 g/mol, XLogP of 5.30, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-butyl-5-hydroxyphenyl)-3,3-dimethoxypentyl]-4-methylphenol is sourced from PubChem (CID 134510319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).