5-(4-hydroxyphenyl)-3-(4-methoxyphenyl)chromen-2-one

C22H16O4 — CID 95401069

IUPAC5-(4-hydroxyphenyl)-3-(4-methoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2cc3c(-c4ccc(O)cc4)cccc3oc2=O)cc1
InChIInChI=1S/C22H16O4/c1-25-17-11-7-15(8-12-17)19-13-20-18(14-5-9-16(23)10-6-14)3-2-4-21(20)26-22(19)24/h2-13,23H,1H3
InChIKeyQBYVBBQIBWVCKB-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.84
Rot. Bonds3

About 5-(4-hydroxyphenyl)-3-(4-methoxyphenyl)chromen-2-one

5-(4-hydroxyphenyl)-3-(4-methoxyphenyl)chromen-2-one (PubChem CID 95401069) has the molecular formula C22H16O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-3-(4-methoxyphenyl)chromen-2-one.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-3-(4-methoxyphenyl)chromen-2-one
PubChem CID95401069
Molecular FormulaC22H16O4
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC Name5-(4-hydroxyphenyl)-3-(4-methoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2cc3c(-c4ccc(O)cc4)cccc3oc2=O)cc1
InChIInChI=1S/C22H16O4/c1-25-17-11-7-15(8-12-17)19-13-20-18(14-5-9-16(23)10-6-14)3-2-4-21(20)26-22(19)24/h2-13,23H,1H3
InChIKeyQBYVBBQIBWVCKB-UHFFFAOYSA-N
XLogP4.84
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxyphenyl)benzo[f]chromen-3-one
CID 102366848
5-(4-methoxyphenyl)naphthalen-2-ol
CID 142144023
7-methoxy-3-(4-methylphenyl)chromen-2-one
CID 73211962
6-methoxy-4-(4-methoxyphenyl)chromen-2-one
CID 10516997
7-(3-hydroxypropyl)-3-(4-methoxyphenyl)chromen-2-one
CID 58402410
5,7-dimethoxy-3-phenylchromen-2-one
CID 10493138
3-(4-bromophenyl)-7-methoxychromen-2-one
CID 688900
anthracene-9,10-dione;ethane;4-methoxyphenol
CID 90695266
[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 54105837
3-(4-methoxyphenyl)-2-oxochromene-7-carbonitrile
CID 124928122
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
2,3-bis(4-hydroxyphenyl)xanthen-9-one
CID 52942637

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-3-(4-methoxyphenyl)chromen-2-one?
The IUPAC name of 5-(4-hydroxyphenyl)-3-(4-methoxyphenyl)chromen-2-one (CID 95401069) is 5-(4-hydroxyphenyl)-3-(4-methoxyphenyl)chromen-2-one.
What is the SMILES notation for 5-(4-hydroxyphenyl)-3-(4-methoxyphenyl)chromen-2-one?
The canonical SMILES for 5-(4-hydroxyphenyl)-3-(4-methoxyphenyl)chromen-2-one is COc1ccc(-c2cc3c(-c4ccc(O)cc4)cccc3oc2=O)cc1.
What is the InChIKey of 5-(4-hydroxyphenyl)-3-(4-methoxyphenyl)chromen-2-one?
The InChIKey is QBYVBBQIBWVCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O4/c1-25-17-11-7-15(8-12-17)19-13-20-18(14-5-9-16(23)10-6-14)3-2-4-21(20)26-22(19)24/h2-13,23H,1H3.
What are the key properties of 5-(4-hydroxyphenyl)-3-(4-methoxyphenyl)chromen-2-one?
5-(4-hydroxyphenyl)-3-(4-methoxyphenyl)chromen-2-one has a molecular weight of 344.37 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-3-(4-methoxyphenyl)chromen-2-one is sourced from PubChem (CID 95401069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).