1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol

C15H24O3 — CID 61080760

IUPAC1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol
SMILESCCCCCC(O)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C15H24O3/c1-5-6-7-8-13(16)12-10-15(18-4)14(17-3)9-11(12)2/h9-10,13,16H,5-8H2,1-4H3
InChIKeyGYBPXUKEWQIOSU-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.63
Rot. Bonds7

About 1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol

1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol (PubChem CID 61080760) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol
PubChem CID61080760
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol
SMILESCCCCCC(O)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C15H24O3/c1-5-6-7-8-13(16)12-10-15(18-4)14(17-3)9-11(12)2/h9-10,13,16H,5-8H2,1-4H3
InChIKeyGYBPXUKEWQIOSU-UHFFFAOYSA-N
XLogP3.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol 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

1-(4,5-dimethoxy-2-methylphenyl)pentan-1-ol
CID 61080758
1-(4,5-dimethoxy-2-methylphenyl)octane-1,8-diol
CID 166530640
1-(1-bromooctyl)-4,5-dimethoxy-2-methylbenzene
CID 63443348
1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol
CID 114753416
1-(1-chlorooctyl)-4,5-dimethoxy-2-methylbenzene
CID 63435046
1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol
CID 65433754
1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine
CID 43626724
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
1-(4-methoxy-2-methylphenyl)octan-1-ol
CID 61101302
1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
CID 113370104
1-(4-methoxy-3-methylphenyl)decan-1-ol
CID 65148116
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol (CID 61080760) is 1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol is CCCCCC(O)c1cc(OC)c(OC)cc1C.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol?
The InChIKey is GYBPXUKEWQIOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-5-6-7-8-13(16)12-10-15(18-4)14(17-3)9-11(12)2/h9-10,13,16H,5-8H2,1-4H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol?
1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol has a molecular weight of 252.35 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol is sourced from PubChem (CID 61080760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).