3-(2-hydroxyethyl)-4-methylbenzo[h]chromen-2-one

C16H14O3 — CID 614063

IUPAC3-(2-hydroxyethyl)-4-methylbenzo[h]chromen-2-one
SMILESCc1c(CCO)c(=O)oc2c1ccc1ccccc12
InChIInChI=1S/C16H14O3/c1-10-12-7-6-11-4-2-3-5-14(11)15(12)19-16(18)13(10)8-9-17/h2-7,17H,8-9H2,1H3
InChIKeyUJJCBNQYHVXRRG-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.79
Rot. Bonds2

About 3-(2-hydroxyethyl)-4-methylbenzo[h]chromen-2-one

3-(2-hydroxyethyl)-4-methylbenzo[h]chromen-2-one (PubChem CID 614063) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-4-methylbenzo[h]chromen-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-4-methylbenzo[h]chromen-2-one
PubChem CID614063
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name3-(2-hydroxyethyl)-4-methylbenzo[h]chromen-2-one
SMILESCc1c(CCO)c(=O)oc2c1ccc1ccccc12
InChIInChI=1S/C16H14O3/c1-10-12-7-6-11-4-2-3-5-14(11)15(12)19-16(18)13(10)8-9-17/h2-7,17H,8-9H2,1H3
InChIKeyUJJCBNQYHVXRRG-UHFFFAOYSA-N
XLogP2.79
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(2-hydroxyethyl)-4-methylbenzo[h]chromen-2-one 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 3-(2-hydroxyethyl)-4-methylbenzo[h]chromen-2-one?
The IUPAC name of 3-(2-hydroxyethyl)-4-methylbenzo[h]chromen-2-one (CID 614063) is 3-(2-hydroxyethyl)-4-methylbenzo[h]chromen-2-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-4-methylbenzo[h]chromen-2-one?
The canonical SMILES for 3-(2-hydroxyethyl)-4-methylbenzo[h]chromen-2-one is Cc1c(CCO)c(=O)oc2c1ccc1ccccc12.
What is the InChIKey of 3-(2-hydroxyethyl)-4-methylbenzo[h]chromen-2-one?
The InChIKey is UJJCBNQYHVXRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-10-12-7-6-11-4-2-3-5-14(11)15(12)19-16(18)13(10)8-9-17/h2-7,17H,8-9H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-4-methylbenzo[h]chromen-2-one?
3-(2-hydroxyethyl)-4-methylbenzo[h]chromen-2-one has a molecular weight of 254.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-4-methylbenzo[h]chromen-2-one is sourced from PubChem (CID 614063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).