1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol

C15H24O2 — CID 113370104

IUPAC1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
SMILESCOc1cc(C)c(C(O)CCC(C)C)cc1C
InChIInChI=1S/C15H24O2/c1-10(2)6-7-14(16)13-8-12(4)15(17-5)9-11(13)3/h8-10,14,16H,6-7H2,1-5H3
InChIKeyAMWOKZRLBUJUDA-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.78
Rot. Bonds5

About 1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol

1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol (PubChem CID 113370104) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
PubChem CID113370104
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
SMILESCOc1cc(C)c(C(O)CCC(C)C)cc1C
InChIInChI=1S/C15H24O2/c1-10(2)6-7-14(16)13-8-12(4)15(17-5)9-11(13)3/h8-10,14,16H,6-7H2,1-5H3
InChIKeyAMWOKZRLBUJUDA-UHFFFAOYSA-N
XLogP3.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-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

3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 112510132
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
CID 82366763
3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 115831293
1-(4,5-dimethoxy-2-methylphenyl)pentan-1-ol
CID 61080758
3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 112510505
1-(2-chloro-4,5-dimethylphenyl)-4-methylpentan-1-ol
CID 115484477
1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol
CID 61080760
1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-ol
CID 105124333
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
1-(4,5-dimethoxy-2-methylphenyl)octane-1,8-diol
CID 166530640

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol (CID 113370104) is 1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol is COc1cc(C)c(C(O)CCC(C)C)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol?
The InChIKey is AMWOKZRLBUJUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-10(2)6-7-14(16)13-8-12(4)15(17-5)9-11(13)3/h8-10,14,16H,6-7H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol?
1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 113370104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).