3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one

C24H17ClO5 — CID 2032343

IUPAC3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one
SMILESCOc1ccc(C(=O)COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)cc1
InChIInChI=1S/C24H17ClO5/c1-28-18-8-4-16(5-9-18)22(26)14-29-19-10-11-20-23(12-19)30-13-21(24(20)27)15-2-6-17(25)7-3-15/h2-13H,14H2,1H3
InChIKeyLTJZFJTVUPHOOS-UHFFFAOYSA-N
MW420.85 g/mol
LogP5.38
Rot. Bonds6

About 3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one

3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one (PubChem CID 2032343) has the molecular formula C24H17ClO5 and a molecular weight of 420.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one
PubChem CID2032343
Molecular FormulaC24H17ClO5
Molecular Weight420.85 g/mol
Exact Mass420.08
IUPAC Name3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one
SMILESCOc1ccc(C(=O)COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)cc1
InChIInChI=1S/C24H17ClO5/c1-28-18-8-4-16(5-9-18)22(26)14-29-19-10-11-20-23(12-19)30-13-21(24(20)27)15-2-6-17(25)7-3-15/h2-13H,14H2,1H3
InChIKeyLTJZFJTVUPHOOS-UHFFFAOYSA-N
XLogP5.38
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.85
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
(2R)-2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxypropanoic acid
CID 693182
2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxypropanoic acid
CID 2792629
7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one
CID 40899939
N-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
CID 162959375
[3-(4-chlorophenyl)-4-oxochromen-7-yl] 4-bromobenzoate
CID 3982565
[3-(4-chlorophenyl)-4-oxochromen-7-yl] 4-fluorobenzoate
CID 2017522
3-(4-chlorophenyl)-6-methoxy-1-benzofuran
CID 69171668
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
3-(4-methoxyphenyl)-7-(oxiran-2-ylmethoxy)chromen-4-one
CID 86618198
N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
CID 164610853
3-(4-chlorophenyl)-7-[(2,5-dimethylphenyl)methoxy]chromen-4-one
CID 2000257

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one?
The IUPAC name of 3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one (CID 2032343) is 3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one is COc1ccc(C(=O)COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one?
The InChIKey is LTJZFJTVUPHOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClO5/c1-28-18-8-4-16(5-9-18)22(26)14-29-19-10-11-20-23(12-19)30-13-21(24(20)27)15-2-6-17(25)7-3-15/h2-13H,14H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one?
3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one has a molecular weight of 420.85 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one is sourced from PubChem (CID 2032343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).