(2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid

C19H15ClO2 — CID 94734384

IUPAC(2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccc(Cl)cc1)c1cccc2ccccc12
InChIInChI=1S/C19H15ClO2/c20-15-10-8-13(9-11-15)12-18(19(21)22)17-7-3-5-14-4-1-2-6-16(14)17/h1-11,18H,12H2,(H,21,22)/t18-/m0/s1
InChIKeySOGHCKKQWXDFCO-SFHVURJKSA-N
MW310.78 g/mol
LogP4.90
Rot. Bonds4

About (2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid

(2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid (PubChem CID 94734384) has the molecular formula C19H15ClO2 and a molecular weight of 310.78 g/mol. Its IUPAC name is (2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid
PubChem CID94734384
Molecular FormulaC19H15ClO2
Molecular Weight310.78 g/mol
Exact Mass310.08
IUPAC Name(2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccc(Cl)cc1)c1cccc2ccccc12
InChIInChI=1S/C19H15ClO2/c20-15-10-8-13(9-11-15)12-18(19(21)22)17-7-3-5-14-4-1-2-6-16(14)17/h1-11,18H,12H2,(H,21,22)/t18-/m0/s1
InChIKeySOGHCKKQWXDFCO-SFHVURJKSA-N
XLogP4.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid
CID 112720942
2-naphthalen-1-yl-3-phenylpropanamide
CID 141457606
3-(3-cyanophenyl)-2-naphthalen-1-ylpropanoic acid
CID 82140892
3-(4-hydroxy-3-methoxyphenyl)-2-naphthalen-1-ylpropanoic acid
CID 83955219
3-(3-ethoxy-4-hydroxyphenyl)-2-naphthalen-1-ylpropanoic acid
CID 83954183
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid
CID 103038733
3-methoxy-2-naphthalen-1-ylpropanoic acid
CID 84752957
2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid
CID 79439415
3-(4-chlorophenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 82139348
2-(2-fluorophenyl)-3-(4-iodophenyl)propanoic acid
CID 79439245
2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol
CID 63939969
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497488

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid?
The IUPAC name of (2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid (CID 94734384) is (2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid.
What is the SMILES notation for (2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid?
The canonical SMILES for (2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid is O=C(O)[C@@H](Cc1ccc(Cl)cc1)c1cccc2ccccc12.
What is the InChIKey of (2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid?
The InChIKey is SOGHCKKQWXDFCO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H15ClO2/c20-15-10-8-13(9-11-15)12-18(19(21)22)17-7-3-5-14-4-1-2-6-16(14)17/h1-11,18H,12H2,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid?
(2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid has a molecular weight of 310.78 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 94734384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).