1-(2,3-dimethylphenyl)-2-methylbutan-1-ol

C13H20O — CID 63719064

IUPAC1-(2,3-dimethylphenyl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1cccc(C)c1C
InChIInChI=1S/C13H20O/c1-5-9(2)13(14)12-8-6-7-10(3)11(12)4/h6-9,13-14H,5H2,1-4H3
InChIKeyZYXBCAJZFHZOLD-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.38
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-2-methylbutan-1-ol

1-(2,3-dimethylphenyl)-2-methylbutan-1-ol (PubChem CID 63719064) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-methylbutan-1-ol
PubChem CID63719064
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-(2,3-dimethylphenyl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1cccc(C)c1C
InChIInChI=1S/C13H20O/c1-5-9(2)13(14)12-8-6-7-10(3)11(12)4/h6-9,13-14H,5H2,1-4H3
InChIKeyZYXBCAJZFHZOLD-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,3-dimethylphenyl)-2-methylbutan-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-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 22486887
1-(2,3-dimethylphenyl)-2,2-diethoxyethanol
CID 79496143
(1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine
CID 130806142
1-(2,3-dimethylphenyl)-2-methoxypropan-1-ol
CID 79616060
1-(1-ethoxyethyl)-2,3-dimethylbenzene
CID 19386638
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid
CID 171877230
2-[(2,3-dimethylphenyl)-hydroxymethyl]-3-methylbutanoic acid
CID 62396265
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171898729
1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene
CID 139620265
1-(2,3-dimethylphenyl)-3-phenylbutan-1-ol
CID 63899543
1-methyl-2-(3-methylpentan-2-yl)benzene
CID 23555669
(2,3-dimethylphenyl)-(4-ethoxyphenyl)methanol
CID 61100219

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-methylbutan-1-ol?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-methylbutan-1-ol (CID 63719064) is 1-(2,3-dimethylphenyl)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-methylbutan-1-ol?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-methylbutan-1-ol is CCC(C)C(O)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-methylbutan-1-ol?
The InChIKey is ZYXBCAJZFHZOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-5-9(2)13(14)12-8-6-7-10(3)11(12)4/h6-9,13-14H,5H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-methylbutan-1-ol?
1-(2,3-dimethylphenyl)-2-methylbutan-1-ol has a molecular weight of 192.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-methylbutan-1-ol is sourced from PubChem (CID 63719064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).