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

C17H14O4 — CID 2906140

IUPAC7-[(4-methoxyphenyl)methoxy]chromen-2-one
SMILESCOc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
InChIInChI=1S/C17H14O4/c1-19-14-6-2-12(3-7-14)11-20-15-8-4-13-5-9-17(18)21-16(13)10-15/h2-10H,11H2,1H3
InChIKeyWFDFKHSTSZLDJM-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.38
Rot. Bonds4

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

7-[(4-methoxyphenyl)methoxy]chromen-2-one (PubChem CID 2906140) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methoxy]chromen-2-one.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methoxy]chromen-2-one
PubChem CID2906140
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name7-[(4-methoxyphenyl)methoxy]chromen-2-one
SMILESCOc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
InChIInChI=1S/C17H14O4/c1-19-14-6-2-12(3-7-14)11-20-15-8-4-13-5-9-17(18)21-16(13)10-15/h2-10H,11H2,1H3
InChIKeyWFDFKHSTSZLDJM-UHFFFAOYSA-N
XLogP3.38
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-oxochromen-7-yl)oxymethyl]benzonitrile
CID 2089139
7-[(3,5-diaminophenyl)methoxy]chromen-2-one
CID 89404478
(6-methoxynaphthalen-2-yl)methyl 2-(2-oxochromen-7-yl)oxyacetate
CID 55554307
7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one
CID 122180470
6-phenylmethoxychromen-2-one
CID 59816113
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567
7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
CID 2384022
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39503721
7-(2-aminoethoxy)chromen-2-one
CID 82506816
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202
7-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethoxy]chromen-2-one
CID 58868616

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methoxy]chromen-2-one?
The IUPAC name of 7-[(4-methoxyphenyl)methoxy]chromen-2-one (CID 2906140) is 7-[(4-methoxyphenyl)methoxy]chromen-2-one.
What is the SMILES notation for 7-[(4-methoxyphenyl)methoxy]chromen-2-one?
The canonical SMILES for 7-[(4-methoxyphenyl)methoxy]chromen-2-one is COc1ccc(COc2ccc3ccc(=O)oc3c2)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methoxy]chromen-2-one?
The InChIKey is WFDFKHSTSZLDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-19-14-6-2-12(3-7-14)11-20-15-8-4-13-5-9-17(18)21-16(13)10-15/h2-10H,11H2,1H3.
What are the key properties of 7-[(4-methoxyphenyl)methoxy]chromen-2-one?
7-[(4-methoxyphenyl)methoxy]chromen-2-one has a molecular weight of 282.30 g/mol, XLogP of 3.38, 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]chromen-2-one is sourced from PubChem (CID 2906140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).