(2R)-2-(3,4-dichlorobenzoyl)oxy-3-naphthalen-2-ylpropanoic acid

C20H14Cl2O4 — CID 153297041

IUPAC(2R)-2-(3,4-dichlorobenzoyl)oxy-3-naphthalen-2-ylpropanoic acid
SMILESO=C(O[C@H](Cc1ccc2ccccc2c1)C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H14Cl2O4/c21-16-8-7-15(11-17(16)22)20(25)26-18(19(23)24)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11,18H,10H2,(H,23,24)/t18-/m1/s1
InChIKeyIEEAAQFXRKVJMY-GOSISDBHSA-N
MW389.23 g/mol
LogP5.00
Rot. Bonds5

About (2R)-2-(3,4-dichlorobenzoyl)oxy-3-naphthalen-2-ylpropanoic acid

(2R)-2-(3,4-dichlorobenzoyl)oxy-3-naphthalen-2-ylpropanoic acid (PubChem CID 153297041) has the molecular formula C20H14Cl2O4 and a molecular weight of 389.23 g/mol. Its IUPAC name is (2R)-2-(3,4-dichlorobenzoyl)oxy-3-naphthalen-2-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(3,4-dichlorobenzoyl)oxy-3-naphthalen-2-ylpropanoic acid
PubChem CID153297041
Molecular FormulaC20H14Cl2O4
Molecular Weight389.23 g/mol
Exact Mass388.03
IUPAC Name(2R)-2-(3,4-dichlorobenzoyl)oxy-3-naphthalen-2-ylpropanoic acid
SMILESO=C(O[C@H](Cc1ccc2ccccc2c1)C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H14Cl2O4/c21-16-8-7-15(11-17(16)22)20(25)26-18(19(23)24)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11,18H,10H2,(H,23,24)/t18-/m1/s1
InChIKeyIEEAAQFXRKVJMY-GOSISDBHSA-N
XLogP5.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.23
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(3,4-dichlorobenzoyl)oxy-3-naphthalen-2-ylpropanoic 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

(2R)-2-(3,5-dimethylbenzoyl)oxy-3-naphthalen-2-ylpropanoic acid
CID 152927678
trans-(1S,3S)-4-[[(3R)-4-(3,4-dichlorophenyl)-3-(naphthalene-2-carbonyloxy)butyl]carbamoyl]cyclobutane-1,2,3-tricarboxylic acid
CID 70187988
cis-(1R,3S)-4-[[(2S,3S)-4-(3,4-dichlorophenyl)-3-(naphthalene-2-carbonyloxy)butan-2-yl]carbamoyl]cyclobutane-1,2,3-tricarboxylic acid
CID 70183934
trans-(1S,3S)-4-[[(2S,3S)-4-(3,4-dichlorophenyl)-3-(naphthalene-2-carbonyloxy)butan-2-yl]carbamoyl]cyclobutane-1,2,3-tricarboxylic acid
CID 70187987
cis-(1R,3S)-4-[[(2S,3R)-4-(3,4-dichlorophenyl)-3-(naphthalene-2-carbonyloxy)butan-2-yl]carbamoyl]cyclobutane-1,2,3-tricarboxylic acid
CID 70183933
(2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid
CID 100540005
(1R,2S,3R,4S)-3-[[(3R)-4-(3,4-dichlorophenyl)-3-(naphthalene-2-carbonyloxy)butyl]carbamoyl]-4-methoxycarbonylcyclobutane-1,2-dicarboxylic acid
CID 70188664
(3,4-dichlorophenyl) naphthalene-2-carboxylate
CID 7959552
(2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100530574
3-naphthalen-2-yl-2-trimethylsilylpropanoic acid
CID 101099223
(2S)-2-butoxy-3-(3,4-dichlorophenyl)propanoic acid
CID 100540443
[5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylpentan-2-yl] naphthalene-2-carboxylate
CID 153297014

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dichlorobenzoyl)oxy-3-naphthalen-2-ylpropanoic acid?
The IUPAC name of (2R)-2-(3,4-dichlorobenzoyl)oxy-3-naphthalen-2-ylpropanoic acid (CID 153297041) is (2R)-2-(3,4-dichlorobenzoyl)oxy-3-naphthalen-2-ylpropanoic acid.
What is the SMILES notation for (2R)-2-(3,4-dichlorobenzoyl)oxy-3-naphthalen-2-ylpropanoic acid?
The canonical SMILES for (2R)-2-(3,4-dichlorobenzoyl)oxy-3-naphthalen-2-ylpropanoic acid is O=C(O[C@H](Cc1ccc2ccccc2c1)C(=O)O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-2-(3,4-dichlorobenzoyl)oxy-3-naphthalen-2-ylpropanoic acid?
The InChIKey is IEEAAQFXRKVJMY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H14Cl2O4/c21-16-8-7-15(11-17(16)22)20(25)26-18(19(23)24)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11,18H,10H2,(H,23,24)/t18-/m1/s1.
What are the key properties of (2R)-2-(3,4-dichlorobenzoyl)oxy-3-naphthalen-2-ylpropanoic acid?
(2R)-2-(3,4-dichlorobenzoyl)oxy-3-naphthalen-2-ylpropanoic acid has a molecular weight of 389.23 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dichlorobenzoyl)oxy-3-naphthalen-2-ylpropanoic acid is sourced from PubChem (CID 153297041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).