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

C18H16O4 — CID 804039

IUPAC7-[(4-methoxyphenyl)methoxy]-4-methylchromen-2-one
SMILESCOc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1
InChIInChI=1S/C18H16O4/c1-12-9-18(19)22-17-10-15(7-8-16(12)17)21-11-13-3-5-14(20-2)6-4-13/h3-10H,11H2,1-2H3
InChIKeyBPZDSNUGLUDKNR-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.69
Rot. Bonds4

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

7-[(4-methoxyphenyl)methoxy]-4-methylchromen-2-one (PubChem CID 804039) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methoxy]-4-methylchromen-2-one
PubChem CID804039
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name7-[(4-methoxyphenyl)methoxy]-4-methylchromen-2-one
SMILESCOc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1
InChIInChI=1S/C18H16O4/c1-12-9-18(19)22-17-10-15(7-8-16(12)17)21-11-13-3-5-14(20-2)6-4-13/h3-10H,11H2,1-2H3
InChIKeyBPZDSNUGLUDKNR-UHFFFAOYSA-N
XLogP3.69
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methoxy]-4-methylchromen-2-one?
The IUPAC name of 7-[(4-methoxyphenyl)methoxy]-4-methylchromen-2-one (CID 804039) is 7-[(4-methoxyphenyl)methoxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[(4-methoxyphenyl)methoxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[(4-methoxyphenyl)methoxy]-4-methylchromen-2-one is COc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methoxy]-4-methylchromen-2-one?
The InChIKey is BPZDSNUGLUDKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-12-9-18(19)22-17-10-15(7-8-16(12)17)21-11-13-3-5-14(20-2)6-4-13/h3-10H,11H2,1-2H3.
What are the key properties of 7-[(4-methoxyphenyl)methoxy]-4-methylchromen-2-one?
7-[(4-methoxyphenyl)methoxy]-4-methylchromen-2-one has a molecular weight of 296.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methoxy]-4-methylchromen-2-one is sourced from PubChem (CID 804039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).