(7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate

C15H16O6 — CID 10565549

IUPAC(7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate
SMILESCOc1ccc2c(COC(=O)CCCO)cc(=O)oc2c1
InChIInChI=1S/C15H16O6/c1-19-11-4-5-12-10(7-15(18)21-13(12)8-11)9-20-14(17)3-2-6-16/h4-5,7-8,16H,2-3,6,9H2,1H3
InChIKeyCDICZBMFDGPWOT-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.62
Rot. Bonds6

About (7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate

(7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate (PubChem CID 10565549) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is (7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate.

Molecular Properties

Compound Name(7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate
PubChem CID10565549
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Name(7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate
SMILESCOc1ccc2c(COC(=O)CCCO)cc(=O)oc2c1
InChIInChI=1S/C15H16O6/c1-19-11-4-5-12-10(7-15(18)21-13(12)8-11)9-20-14(17)3-2-6-16/h4-5,7-8,16H,2-3,6,9H2,1H3
InChIKeyCDICZBMFDGPWOT-UHFFFAOYSA-N
XLogP1.62
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate 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

(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
(7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 4693748
(7-methoxy-2-oxochromen-4-yl)methyl (3S)-3-phenylbutanoate
CID 7227766
(7-methoxy-2-oxochromen-4-yl)methyl 2-phenylsulfanylacetate
CID 4544422
(7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4857472
(7-methoxy-2-oxochromen-4-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate
CID 7265351
(7-methoxy-2-oxochromen-4-yl)methyl 3,4,5-trimethoxybenzoate
CID 3971708
(7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate
CID 46789081
(7-methoxy-2-oxochromen-4-yl)methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
CID 8852922
(7-methoxy-2-oxochromen-4-yl)methyl 2-iodobenzoate
CID 3876899
(7-methoxy-2-oxochromen-4-yl)methyl 2,4-dimethylbenzoate
CID 7796060
(7-methoxy-2-oxochromen-4-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617757

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate?
The IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate (CID 10565549) is (7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate.
What is the SMILES notation for (7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate?
The canonical SMILES for (7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate is COc1ccc2c(COC(=O)CCCO)cc(=O)oc2c1.
What is the InChIKey of (7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate?
The InChIKey is CDICZBMFDGPWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O6/c1-19-11-4-5-12-10(7-15(18)21-13(12)8-11)9-20-14(17)3-2-6-16/h4-5,7-8,16H,2-3,6,9H2,1H3.
What are the key properties of (7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate?
(7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate has a molecular weight of 292.29 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate is sourced from PubChem (CID 10565549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).