(E)-3-[3-(2-hydroxyethyl)-6-(hydroxymethyl)-2,4-dimethylphenyl]-2-methylprop-2-en-1-ol

C15H22O3 — CID 46867877

IUPAC(E)-3-[3-(2-hydroxyethyl)-6-(hydroxymethyl)-2,4-dimethylphenyl]-2-methylprop-2-en-1-ol
SMILESC/C(=C\c1c(CO)cc(C)c(CCO)c1C)CO
InChIInChI=1S/C15H22O3/c1-10(8-17)6-15-12(3)14(4-5-16)11(2)7-13(15)9-18/h6-7,16-18H,4-5,8-9H2,1-3H3/b10-6+
InChIKeyHDRMLGZFJYFMTR-UXBLZVDNSA-N
MW250.34 g/mol
LogP1.73
Rot. Bonds5

About (E)-3-[3-(2-hydroxyethyl)-6-(hydroxymethyl)-2,4-dimethylphenyl]-2-methylprop-2-en-1-ol

(E)-3-[3-(2-hydroxyethyl)-6-(hydroxymethyl)-2,4-dimethylphenyl]-2-methylprop-2-en-1-ol (PubChem CID 46867877) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (E)-3-[3-(2-hydroxyethyl)-6-(hydroxymethyl)-2,4-dimethylphenyl]-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[3-(2-hydroxyethyl)-6-(hydroxymethyl)-2,4-dimethylphenyl]-2-methylprop-2-en-1-ol
PubChem CID46867877
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(E)-3-[3-(2-hydroxyethyl)-6-(hydroxymethyl)-2,4-dimethylphenyl]-2-methylprop-2-en-1-ol
SMILESC/C(=C\c1c(CO)cc(C)c(CCO)c1C)CO
InChIInChI=1S/C15H22O3/c1-10(8-17)6-15-12(3)14(4-5-16)11(2)7-13(15)9-18/h6-7,16-18H,4-5,8-9H2,1-3H3/b10-6+
InChIKeyHDRMLGZFJYFMTR-UXBLZVDNSA-N
XLogP1.73
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (E)-3-[3-(2-hydroxyethyl)-6-(hydroxymethyl)-2,4-dimethylphenyl]-2-methylprop-2-en-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

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(2-hydroxyethyl)-6-(hydroxymethyl)-2,4-dimethylphenyl]-2-methylprop-2-en-1-ol?
The IUPAC name of (E)-3-[3-(2-hydroxyethyl)-6-(hydroxymethyl)-2,4-dimethylphenyl]-2-methylprop-2-en-1-ol (CID 46867877) is (E)-3-[3-(2-hydroxyethyl)-6-(hydroxymethyl)-2,4-dimethylphenyl]-2-methylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-[3-(2-hydroxyethyl)-6-(hydroxymethyl)-2,4-dimethylphenyl]-2-methylprop-2-en-1-ol?
The canonical SMILES for (E)-3-[3-(2-hydroxyethyl)-6-(hydroxymethyl)-2,4-dimethylphenyl]-2-methylprop-2-en-1-ol is C/C(=C\c1c(CO)cc(C)c(CCO)c1C)CO.
What is the InChIKey of (E)-3-[3-(2-hydroxyethyl)-6-(hydroxymethyl)-2,4-dimethylphenyl]-2-methylprop-2-en-1-ol?
The InChIKey is HDRMLGZFJYFMTR-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H22O3/c1-10(8-17)6-15-12(3)14(4-5-16)11(2)7-13(15)9-18/h6-7,16-18H,4-5,8-9H2,1-3H3/b10-6+.
What are the key properties of (E)-3-[3-(2-hydroxyethyl)-6-(hydroxymethyl)-2,4-dimethylphenyl]-2-methylprop-2-en-1-ol?
(E)-3-[3-(2-hydroxyethyl)-6-(hydroxymethyl)-2,4-dimethylphenyl]-2-methylprop-2-en-1-ol has a molecular weight of 250.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(2-hydroxyethyl)-6-(hydroxymethyl)-2,4-dimethylphenyl]-2-methylprop-2-en-1-ol is sourced from PubChem (CID 46867877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).