(3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid

C12H12Cl2O4 — CID 102173737

IUPAC(3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)C[C@@H](CC(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2O4/c1-18-12(17)5-7(4-11(15)16)9-3-2-8(13)6-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyCLAYCZDCWGPRPJ-SSDOTTSWSA-N
MW291.13 g/mol
LogP3.11
Rot. Bonds5

About (3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid

(3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid (PubChem CID 102173737) has the molecular formula C12H12Cl2O4 and a molecular weight of 291.13 g/mol. Its IUPAC name is (3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid
PubChem CID102173737
Molecular FormulaC12H12Cl2O4
Molecular Weight291.13 g/mol
Exact Mass290.01
IUPAC Name(3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)C[C@@H](CC(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2O4/c1-18-12(17)5-7(4-11(15)16)9-3-2-8(13)6-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyCLAYCZDCWGPRPJ-SSDOTTSWSA-N
XLogP3.11
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic 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

(3S)-3-(4-chlorophenyl)-5-methoxy-5-oxopentanoic acid
CID 44516385
methyl 3-[1-(2,4-dichlorophenyl)ethylamino]butanoate
CID 43536724
3-(4-chloro-2-methylphenyl)pentanedioic acid
CID 66759290
5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid
CID 62942590
methyl (Z)-5-(2,4-dichlorophenyl)-3,5-dihydroxypent-2-enoate
CID 134105150
(3S)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
CID 96804173
2-[5-chloro-2-(1,2-dihydroxy-4-methoxy-4-oxobutyl)phenoxy]acetic acid
CID 171896472
methyl 3-(4-chloro-2-fluorophenyl)butanoate
CID 171372756
methyl 4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanoate
CID 171896669
methyl 4-(2-amino-5-chlorophenyl)-3,4-dihydroxybutanoate
CID 171895291
methyl 2-[(2,4-dichlorophenyl)-phenylmethoxy]acetate
CID 57295323
(3S)-5-methoxy-5-oxo-3-phenylpentanoic acid
CID 71352827

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid (CID 102173737) is (3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid is COC(=O)C[C@@H](CC(=O)O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid?
The InChIKey is CLAYCZDCWGPRPJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12Cl2O4/c1-18-12(17)5-7(4-11(15)16)9-3-2-8(13)6-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)/t7-/m1/s1.
What are the key properties of (3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid?
(3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid has a molecular weight of 291.13 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 102173737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).