7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one

C24H20O4 — CID 5038923

IUPAC7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one
SMILESCCOc1ccc2c(-c3ccccc3)c(-c3ccc(OC)cc3)c(=O)oc2c1
InChIInChI=1S/C24H20O4/c1-3-27-19-13-14-20-21(15-19)28-24(25)23(17-9-11-18(26-2)12-10-17)22(20)16-7-5-4-6-8-16/h4-15H,3H2,1-2H3
InChIKeyWIHAIXDXQZXLKF-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.53
Rot. Bonds5

About 7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one

7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one (PubChem CID 5038923) has the molecular formula C24H20O4 and a molecular weight of 372.42 g/mol. Its IUPAC name is 7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one.

Molecular Properties

Compound Name7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one
PubChem CID5038923
Molecular FormulaC24H20O4
Molecular Weight372.42 g/mol
Exact Mass372.14
IUPAC Name7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one
SMILESCCOc1ccc2c(-c3ccccc3)c(-c3ccc(OC)cc3)c(=O)oc2c1
InChIInChI=1S/C24H20O4/c1-3-27-19-13-14-20-21(15-19)28-24(25)23(17-9-11-18(26-2)12-10-17)22(20)16-7-5-4-6-8-16/h4-15H,3H2,1-2H3
InChIKeyWIHAIXDXQZXLKF-UHFFFAOYSA-N
XLogP5.53
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.53
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

7-ethoxy-4-phenylchromen-2-one
CID 678937
3-phenyl-7-(2-piperidin-1-ylethoxy)-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one
CID 71817959
7-methoxy-4-phenyl-3-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)chromen-2-one
CID 95401076
7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one
CID 44963511
3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one
CID 44963741
methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate
CID 7198355
7-[2-(diethylamino)ethoxy]-4-hydroxy-3-(4-methoxyphenyl)chromen-2-one
CID 141398776
2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran
CID 154708443
6-methoxy-2-methyl-3-phenyl-1-benzofuran
CID 3448866
3-(4-methoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]chromen-2-one
CID 23583856
4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one
CID 71818110
7-methoxy-N,N-dimethyl-2-oxo-4-phenylchromene-3-carboxamide
CID 177461075

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one?
The IUPAC name of 7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one (CID 5038923) is 7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one.
What is the SMILES notation for 7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one?
The canonical SMILES for 7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one is CCOc1ccc2c(-c3ccccc3)c(-c3ccc(OC)cc3)c(=O)oc2c1.
What is the InChIKey of 7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one?
The InChIKey is WIHAIXDXQZXLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O4/c1-3-27-19-13-14-20-21(15-19)28-24(25)23(17-9-11-18(26-2)12-10-17)22(20)16-7-5-4-6-8-16/h4-15H,3H2,1-2H3.
What are the key properties of 7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one?
7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one has a molecular weight of 372.42 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one is sourced from PubChem (CID 5038923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).