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'}

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Related Compounds

3-[5-(5-hydroxy-2-phenylphenyl)-3,3-dimethoxypentyl]-4-methylphenol
CID 134510264
3-butyl-4-methylphenol;2-methylhexane
CID 142056802
3-[5-[5-hydroxy-2-(4-methylphenyl)phenyl]-3,3-dimethoxypentyl]-4-(4-methylphenyl)phenol
CID 134510323
3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol
CID 23353932
3-methyl-4-octylphenol
CID 67863636
1-[(2-butyl-5-hydroxyphenyl)methylamino]ethane-1,1-diol
CID 101326302
3-bromo-4-butylphenol
CID 20571557
2-tridecylbenzene-1,4-diol
CID 19033717
sodium 2-dodecylbenzene-1,4-diol
CID 23460783
CID 70568956
CID 70568956
CID 70369806
CID 70369806
4-methyl-3-(5-methylhex-4-enyl)phenol
CID 53361663

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).