4-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methylchromen-2-one

C18H16O5 — CID 54711766

IUPAC4-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methylchromen-2-one
SMILESCOc1ccc(COc2ccc3c(O)cc(=O)oc3c2C)cc1
InChIInChI=1S/C18H16O5/c1-11-16(22-10-12-3-5-13(21-2)6-4-12)8-7-14-15(19)9-17(20)23-18(11)14/h3-9,19H,10H2,1-2H3
InChIKeyMVSBCMLITVPLMB-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.39
Rot. Bonds4

About 4-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methylchromen-2-one

4-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methylchromen-2-one (PubChem CID 54711766) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 4-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methylchromen-2-one.

Molecular Properties

Compound Name4-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methylchromen-2-one
PubChem CID54711766
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name4-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methylchromen-2-one
SMILESCOc1ccc(COc2ccc3c(O)cc(=O)oc3c2C)cc1
InChIInChI=1S/C18H16O5/c1-11-16(22-10-12-3-5-13(21-2)6-4-12)8-7-14-15(19)9-17(20)23-18(11)14/h3-9,19H,10H2,1-2H3
InChIKeyMVSBCMLITVPLMB-UHFFFAOYSA-N
XLogP3.39
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methylchromen-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

Related Compounds

4-hydroxy-7-methoxy-8-methylchromen-2-one
CID 54728807
7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one
CID 15650857
7-(cyclohexylmethoxy)-4-hydroxy-8-methylchromen-2-one
CID 54704163
7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one
CID 883551
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(4-methoxyphenoxy)acetate
CID 8874303
7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one
CID 2299030
4-hydroxy-8-methyl-7-[(1-methylpiperidin-3-yl)methoxy]chromen-2-one
CID 54718831
4-butyl-8-methyl-7-phenylmethoxychromen-2-one
CID 2902407
4-hydroxy-8-methyl-7-(1-phenylethoxy)chromen-2-one
CID 54719972
7-[(3-chlorophenyl)methoxy]-4,8-dimethylchromen-2-one
CID 969830
N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide
CID 4967565
4-[(2,4-dichlorophenoxy)methyl]-7-hydroxy-8-methylchromen-2-one
CID 18291345

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methylchromen-2-one?
The IUPAC name of 4-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methylchromen-2-one (CID 54711766) is 4-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methylchromen-2-one.
What is the SMILES notation for 4-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methylchromen-2-one?
The canonical SMILES for 4-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methylchromen-2-one is COc1ccc(COc2ccc3c(O)cc(=O)oc3c2C)cc1.
What is the InChIKey of 4-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methylchromen-2-one?
The InChIKey is MVSBCMLITVPLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-11-16(22-10-12-3-5-13(21-2)6-4-12)8-7-14-15(19)9-17(20)23-18(11)14/h3-9,19H,10H2,1-2H3.
What are the key properties of 4-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methylchromen-2-one?
4-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methylchromen-2-one has a molecular weight of 312.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-methylchromen-2-one is sourced from PubChem (CID 54711766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).