3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol

C14H22O3 — CID 79422765

IUPAC3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol
SMILESCCC(Cc1ccc(OC)c(OC)c1)C(C)O
InChIInChI=1S/C14H22O3/c1-5-12(10(2)15)8-11-6-7-13(16-3)14(9-11)17-4/h6-7,9-10,12,15H,5,8H2,1-4H3
InChIKeyNFRAQAKRNORNTH-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.65
Rot. Bonds6

About 3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol

3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol (PubChem CID 79422765) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol
PubChem CID79422765
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol
SMILESCCC(Cc1ccc(OC)c(OC)c1)C(C)O
InChIInChI=1S/C14H22O3/c1-5-12(10(2)15)8-11-6-7-13(16-3)14(9-11)17-4/h6-7,9-10,12,15H,5,8H2,1-4H3
InChIKeyNFRAQAKRNORNTH-UHFFFAOYSA-N
XLogP2.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3,4-dimethoxyphenyl)methyl]pentan-2-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-(3,4-dimethoxyphenyl)-3-methylpentan-2-ol
CID 63018781
(2S,3S,4S,7S)-3,4-bis[(3,4-dimethoxyphenyl)methyl]octane-2,7-diol
CID 172869081
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
4-(3-chloro-2-methylpentyl)-1,2-dimethoxybenzene
CID 79307803
1-(3,4-dimethoxyphenyl)-2-methylpentan-3-one
CID 79019340
1-(3,4-dimethoxyphenyl)-3,3-dimethylpentan-2-ol
CID 63018220
4-[(2R,3S)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 11725068
(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid
CID 14163336
(3R)-4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 130440860
4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 11276143
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
CID 43499278
1-(3,4-dimethoxyphenyl)-4,5,5-trimethylhexan-2-ol
CID 63834551

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol (CID 79422765) is 3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol is CCC(Cc1ccc(OC)c(OC)c1)C(C)O.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol?
The InChIKey is NFRAQAKRNORNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-12(10(2)15)8-11-6-7-13(16-3)14(9-11)17-4/h6-7,9-10,12,15H,5,8H2,1-4H3.
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol?
3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol is sourced from PubChem (CID 79422765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).