2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol

C14H20O4 — CID 79335319

IUPAC2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol
SMILESCCC(=Cc1cc(OC)c(OC)cc1OC)CO
InChIInChI=1S/C14H20O4/c1-5-10(9-15)6-11-7-13(17-3)14(18-4)8-12(11)16-2/h6-8,15H,5,9H2,1-4H3
InChIKeySQHWJIVPAWYYRD-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.50
Rot. Bonds6

About 2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol

2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol (PubChem CID 79335319) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol.

Molecular Properties

Compound Name2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol
PubChem CID79335319
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol
SMILESCCC(=Cc1cc(OC)c(OC)cc1OC)CO
InChIInChI=1S/C14H20O4/c1-5-10(9-15)6-11-7-13(17-3)14(18-4)8-12(11)16-2/h6-8,15H,5,9H2,1-4H3
InChIKeySQHWJIVPAWYYRD-UHFFFAOYSA-N
XLogP2.50
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2,4,5-trimethoxyphenyl)methylidene]butan-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 2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol?
The IUPAC name of 2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol (CID 79335319) is 2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol.
What is the SMILES notation for 2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol?
The canonical SMILES for 2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol is CCC(=Cc1cc(OC)c(OC)cc1OC)CO.
What is the InChIKey of 2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol?
The InChIKey is SQHWJIVPAWYYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-5-10(9-15)6-11-7-13(17-3)14(18-4)8-12(11)16-2/h6-8,15H,5,9H2,1-4H3.
What are the key properties of 2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol?
2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol has a molecular weight of 252.31 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,5-trimethoxyphenyl)methylidene]butan-1-ol is sourced from PubChem (CID 79335319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).