(2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid

C18H12Cl2O5 — CID 7747088

IUPAC(2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid
SMILESC[C@H](Oc1c(-c2ccc(Cl)cc2)oc2ccc(Cl)cc2c1=O)C(=O)O
InChIInChI=1S/C18H12Cl2O5/c1-9(18(22)23)24-17-15(21)13-8-12(20)6-7-14(13)25-16(17)10-2-4-11(19)5-3-10/h2-9H,1H3,(H,22,23)/t9-/m0/s1
InChIKeyIJNLTQBMMQRVCV-VIFPVBQESA-N
MW379.20 g/mol
LogP4.62
Rot. Bonds4

About (2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid

(2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid (PubChem CID 7747088) has the molecular formula C18H12Cl2O5 and a molecular weight of 379.20 g/mol. Its IUPAC name is (2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid
PubChem CID7747088
Molecular FormulaC18H12Cl2O5
Molecular Weight379.20 g/mol
Exact Mass378.01
IUPAC Name(2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid
SMILESC[C@H](Oc1c(-c2ccc(Cl)cc2)oc2ccc(Cl)cc2c1=O)C(=O)O
InChIInChI=1S/C18H12Cl2O5/c1-9(18(22)23)24-17-15(21)13-8-12(20)6-7-14(13)25-16(17)10-2-4-11(19)5-3-10/h2-9H,1H3,(H,22,23)/t9-/m0/s1
InChIKeyIJNLTQBMMQRVCV-VIFPVBQESA-N
XLogP4.62
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one
CID 7746601
2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
CID 3316849
(2R)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxypropanoic acid
CID 7747832
2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 21000266
5-[[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylic acid
CID 21000428
2-(4-chlorophenyl)-7-methyl-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
CID 4126222
6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one
CID 7746663
6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746678
(6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate
CID 7746589
ethyl 2-[2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxypropanoate
CID 4112757
(2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 7747167
2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide
CID 46303284

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid?
The IUPAC name of (2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid (CID 7747088) is (2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid.
What is the SMILES notation for (2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid?
The canonical SMILES for (2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid is C[C@H](Oc1c(-c2ccc(Cl)cc2)oc2ccc(Cl)cc2c1=O)C(=O)O.
What is the InChIKey of (2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid?
The InChIKey is IJNLTQBMMQRVCV-VIFPVBQESA-N. The full InChI is InChI=1S/C18H12Cl2O5/c1-9(18(22)23)24-17-15(21)13-8-12(20)6-7-14(13)25-16(17)10-2-4-11(19)5-3-10/h2-9H,1H3,(H,22,23)/t9-/m0/s1.
What are the key properties of (2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid?
(2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid has a molecular weight of 379.20 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid is sourced from PubChem (CID 7747088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).