1-[(2-methoxyphenoxy)methyl]benzo[f]chromen-3-one

C21H16O4 — CID 7834384

IUPAC1-[(2-methoxyphenoxy)methyl]benzo[f]chromen-3-one
SMILESCOc1ccccc1OCc1cc(=O)oc2ccc3ccccc3c12
InChIInChI=1S/C21H16O4/c1-23-17-8-4-5-9-18(17)24-13-15-12-20(22)25-19-11-10-14-6-2-3-7-16(14)21(15)19/h2-12H,13H2,1H3
InChIKeyYWWVJOGFCVATRK-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.53
Rot. Bonds4

About 1-[(2-methoxyphenoxy)methyl]benzo[f]chromen-3-one

1-[(2-methoxyphenoxy)methyl]benzo[f]chromen-3-one (PubChem CID 7834384) has the molecular formula C21H16O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-[(2-methoxyphenoxy)methyl]benzo[f]chromen-3-one.

Molecular Properties

Compound Name1-[(2-methoxyphenoxy)methyl]benzo[f]chromen-3-one
PubChem CID7834384
Molecular FormulaC21H16O4
Molecular Weight332.36 g/mol
Exact Mass332.10
IUPAC Name1-[(2-methoxyphenoxy)methyl]benzo[f]chromen-3-one
SMILESCOc1ccccc1OCc1cc(=O)oc2ccc3ccccc3c12
InChIInChI=1S/C21H16O4/c1-23-17-8-4-5-9-18(17)24-13-15-12-20(22)25-19-11-10-14-6-2-3-7-16(14)21(15)19/h2-12H,13H2,1H3
InChIKeyYWWVJOGFCVATRK-UHFFFAOYSA-N
XLogP4.53
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-oxobenzo[f]chromen-1-yl)methoxy]benzaldehyde
CID 7762774
1-[(2-bromo-4-methylphenoxy)methyl]benzo[f]chromen-3-one
CID 7995735
1-[(4-methoxy-2-nitrophenoxy)methyl]benzo[f]chromen-3-one
CID 7473403
(3-oxobenzo[f]chromen-1-yl)methyl 3-methoxy-4-propoxybenzoate
CID 5239294
(3-oxobenzo[f]chromen-1-yl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 4312941
methyl 4-[(3-oxobenzo[f]chromen-1-yl)methoxy]benzoate
CID 2495651
2-(3,4-dimethoxyphenyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium
CID 9256464
dimethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium
CID 8931831
4-[4-[(3-oxobenzo[f]chromen-1-yl)methoxy]phenyl]benzonitrile
CID 7670488
N,N-diethyl-3-nitro-4-[(3-oxobenzo[f]chromen-1-yl)methoxy]benzenesulfonamide
CID 4589441
(3-oxobenzo[f]chromen-1-yl)methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 2482009
1-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one
CID 4819798

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenoxy)methyl]benzo[f]chromen-3-one?
The IUPAC name of 1-[(2-methoxyphenoxy)methyl]benzo[f]chromen-3-one (CID 7834384) is 1-[(2-methoxyphenoxy)methyl]benzo[f]chromen-3-one.
What is the SMILES notation for 1-[(2-methoxyphenoxy)methyl]benzo[f]chromen-3-one?
The canonical SMILES for 1-[(2-methoxyphenoxy)methyl]benzo[f]chromen-3-one is COc1ccccc1OCc1cc(=O)oc2ccc3ccccc3c12.
What is the InChIKey of 1-[(2-methoxyphenoxy)methyl]benzo[f]chromen-3-one?
The InChIKey is YWWVJOGFCVATRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O4/c1-23-17-8-4-5-9-18(17)24-13-15-12-20(22)25-19-11-10-14-6-2-3-7-16(14)21(15)19/h2-12H,13H2,1H3.
What are the key properties of 1-[(2-methoxyphenoxy)methyl]benzo[f]chromen-3-one?
1-[(2-methoxyphenoxy)methyl]benzo[f]chromen-3-one has a molecular weight of 332.36 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenoxy)methyl]benzo[f]chromen-3-one is sourced from PubChem (CID 7834384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).