5-methoxy-3-[(2-methoxyphenyl)methyl]-8-methylchromen-2-one

C19H18O4 — CID 44592150

IUPAC5-methoxy-3-[(2-methoxyphenyl)methyl]-8-methylchromen-2-one
SMILESCOc1ccccc1Cc1cc2c(OC)ccc(C)c2oc1=O
InChIInChI=1S/C19H18O4/c1-12-8-9-17(22-3)15-11-14(19(20)23-18(12)15)10-13-6-4-5-7-16(13)21-2/h4-9,11H,10H2,1-3H3
InChIKeyWYBABKIXNZERSL-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.71
Rot. Bonds4

About 5-methoxy-3-[(2-methoxyphenyl)methyl]-8-methylchromen-2-one

5-methoxy-3-[(2-methoxyphenyl)methyl]-8-methylchromen-2-one (PubChem CID 44592150) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-methoxy-3-[(2-methoxyphenyl)methyl]-8-methylchromen-2-one.

Molecular Properties

Compound Name5-methoxy-3-[(2-methoxyphenyl)methyl]-8-methylchromen-2-one
PubChem CID44592150
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name5-methoxy-3-[(2-methoxyphenyl)methyl]-8-methylchromen-2-one
SMILESCOc1ccccc1Cc1cc2c(OC)ccc(C)c2oc1=O
InChIInChI=1S/C19H18O4/c1-12-8-9-17(22-3)15-11-14(19(20)23-18(12)15)10-13-6-4-5-7-16(13)21-2/h4-9,11H,10H2,1-3H3
InChIKeyWYBABKIXNZERSL-UHFFFAOYSA-N
XLogP3.71
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.71
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 5-methoxy-3-[(2-methoxyphenyl)methyl]-8-methylchromen-2-one?
The IUPAC name of 5-methoxy-3-[(2-methoxyphenyl)methyl]-8-methylchromen-2-one (CID 44592150) is 5-methoxy-3-[(2-methoxyphenyl)methyl]-8-methylchromen-2-one.
What is the SMILES notation for 5-methoxy-3-[(2-methoxyphenyl)methyl]-8-methylchromen-2-one?
The canonical SMILES for 5-methoxy-3-[(2-methoxyphenyl)methyl]-8-methylchromen-2-one is COc1ccccc1Cc1cc2c(OC)ccc(C)c2oc1=O.
What is the InChIKey of 5-methoxy-3-[(2-methoxyphenyl)methyl]-8-methylchromen-2-one?
The InChIKey is WYBABKIXNZERSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-12-8-9-17(22-3)15-11-14(19(20)23-18(12)15)10-13-6-4-5-7-16(13)21-2/h4-9,11H,10H2,1-3H3.
What are the key properties of 5-methoxy-3-[(2-methoxyphenyl)methyl]-8-methylchromen-2-one?
5-methoxy-3-[(2-methoxyphenyl)methyl]-8-methylchromen-2-one has a molecular weight of 310.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[(2-methoxyphenyl)methyl]-8-methylchromen-2-one is sourced from PubChem (CID 44592150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).