(3,5-dimethoxy-2-methylphenyl)methanediol

C10H14O4 — CID 123413723

IUPAC(3,5-dimethoxy-2-methylphenyl)methanediol
SMILESCOc1cc(OC)c(C)c(C(O)O)c1
InChIInChI=1S/C10H14O4/c1-6-8(10(11)12)4-7(13-2)5-9(6)14-3/h4-5,10-12H,1-3H3
InChIKeyKZGNJNBQWDZCQQ-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.00
Rot. Bonds3

About (3,5-dimethoxy-2-methylphenyl)methanediol

(3,5-dimethoxy-2-methylphenyl)methanediol (PubChem CID 123413723) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (3,5-dimethoxy-2-methylphenyl)methanediol.

Molecular Properties

Compound Name(3,5-dimethoxy-2-methylphenyl)methanediol
PubChem CID123413723
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(3,5-dimethoxy-2-methylphenyl)methanediol
SMILESCOc1cc(OC)c(C)c(C(O)O)c1
InChIInChI=1S/C10H14O4/c1-6-8(10(11)12)4-7(13-2)5-9(6)14-3/h4-5,10-12H,1-3H3
InChIKeyKZGNJNBQWDZCQQ-UHFFFAOYSA-N
XLogP1.00
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3,5-dimethoxy-2-methylphenyl)methanediol 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

2-(3,5-dimethoxy-2-methylphenyl)-2-hydroxyacetic acid
CID 117324991
3-amino-3-(3,5-dimethoxy-2-methylphenyl)propanoic acid
CID 117350570
1-(2-fluoro-3,5-dimethoxyphenyl)ethanol
CID 117289259
1-fluoro-3,5-dimethoxy-2-methylbenzene
CID 22970635
2-hydroxy-2-(5-methoxy-2,3-dimethylphenyl)acetic acid
CID 119014767
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
3,5-dimethoxy-2-methylaniline;hydrochloride
CID 91663006
1-(3-bromo-5-methoxy-2-methylphenyl)ethanol
CID 84704874
2-hydroxy-2-(2,4,6-trimethoxyphenyl)acetamide
CID 62225648
3,5-dimethoxy-2-methylbenzaldehyde
CID 10214428
chloro-tris(3,5-dimethoxy-2-methylphenyl)silane
CID 88962952
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxy-2-methylphenyl)methanediol?
The IUPAC name of (3,5-dimethoxy-2-methylphenyl)methanediol (CID 123413723) is (3,5-dimethoxy-2-methylphenyl)methanediol.
What is the SMILES notation for (3,5-dimethoxy-2-methylphenyl)methanediol?
The canonical SMILES for (3,5-dimethoxy-2-methylphenyl)methanediol is COc1cc(OC)c(C)c(C(O)O)c1.
What is the InChIKey of (3,5-dimethoxy-2-methylphenyl)methanediol?
The InChIKey is KZGNJNBQWDZCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-6-8(10(11)12)4-7(13-2)5-9(6)14-3/h4-5,10-12H,1-3H3.
What are the key properties of (3,5-dimethoxy-2-methylphenyl)methanediol?
(3,5-dimethoxy-2-methylphenyl)methanediol has a molecular weight of 198.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxy-2-methylphenyl)methanediol is sourced from PubChem (CID 123413723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).