(2S)-3-(5-chloro-2-methylphenyl)-2-naphthalen-1-yloxypropanoic acid

C20H17ClO3 — CID 100537884

IUPAC(2S)-3-(5-chloro-2-methylphenyl)-2-naphthalen-1-yloxypropanoic acid
SMILESCc1ccc(Cl)cc1C[C@H](Oc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C20H17ClO3/c1-13-9-10-16(21)11-15(13)12-19(20(22)23)24-18-8-4-6-14-5-2-3-7-17(14)18/h2-11,19H,12H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyOIYAVIZRBSRRDS-IBGZPJMESA-N
MW340.81 g/mol
LogP4.88
Rot. Bonds5

About (2S)-3-(5-chloro-2-methylphenyl)-2-naphthalen-1-yloxypropanoic acid

(2S)-3-(5-chloro-2-methylphenyl)-2-naphthalen-1-yloxypropanoic acid (PubChem CID 100537884) has the molecular formula C20H17ClO3 and a molecular weight of 340.81 g/mol. Its IUPAC name is (2S)-3-(5-chloro-2-methylphenyl)-2-naphthalen-1-yloxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-(5-chloro-2-methylphenyl)-2-naphthalen-1-yloxypropanoic acid
PubChem CID100537884
Molecular FormulaC20H17ClO3
Molecular Weight340.81 g/mol
Exact Mass340.09
IUPAC Name(2S)-3-(5-chloro-2-methylphenyl)-2-naphthalen-1-yloxypropanoic acid
SMILESCc1ccc(Cl)cc1C[C@H](Oc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C20H17ClO3/c1-13-9-10-16(21)11-15(13)12-19(20(22)23)24-18-8-4-6-14-5-2-3-7-17(14)18/h2-11,19H,12H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyOIYAVIZRBSRRDS-IBGZPJMESA-N
XLogP4.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(5-chloro-2-methylphenyl)-2-(3-methylphenoxy)propanoic acid
CID 100537567
(2S)-3-(5-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid
CID 100537835
3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133230900
3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133241219
(2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid
CID 100543843
(2R)-2-naphthalen-1-yloxy-3-phenylpropanoic acid
CID 100524327
2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid
CID 133150429
(2S)-3-(4-chloro-2-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100537301
3-(4-chloro-2-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 133245510
3-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxypropanoic acid
CID 133241251
(2R)-2-(2-tert-butylphenoxy)-3-(4-chloro-2-methylphenyl)propanoic acid
CID 100537046
2-(2-tert-butylphenoxy)-3-(4-chloro-2-methylphenyl)propanoic acid
CID 133230889

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(5-chloro-2-methylphenyl)-2-naphthalen-1-yloxypropanoic acid?
The IUPAC name of (2S)-3-(5-chloro-2-methylphenyl)-2-naphthalen-1-yloxypropanoic acid (CID 100537884) is (2S)-3-(5-chloro-2-methylphenyl)-2-naphthalen-1-yloxypropanoic acid.
What is the SMILES notation for (2S)-3-(5-chloro-2-methylphenyl)-2-naphthalen-1-yloxypropanoic acid?
The canonical SMILES for (2S)-3-(5-chloro-2-methylphenyl)-2-naphthalen-1-yloxypropanoic acid is Cc1ccc(Cl)cc1C[C@H](Oc1cccc2ccccc12)C(=O)O.
What is the InChIKey of (2S)-3-(5-chloro-2-methylphenyl)-2-naphthalen-1-yloxypropanoic acid?
The InChIKey is OIYAVIZRBSRRDS-IBGZPJMESA-N. The full InChI is InChI=1S/C20H17ClO3/c1-13-9-10-16(21)11-15(13)12-19(20(22)23)24-18-8-4-6-14-5-2-3-7-17(14)18/h2-11,19H,12H2,1H3,(H,22,23)/t19-/m0/s1.
What are the key properties of (2S)-3-(5-chloro-2-methylphenyl)-2-naphthalen-1-yloxypropanoic acid?
(2S)-3-(5-chloro-2-methylphenyl)-2-naphthalen-1-yloxypropanoic acid has a molecular weight of 340.81 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(5-chloro-2-methylphenyl)-2-naphthalen-1-yloxypropanoic acid is sourced from PubChem (CID 100537884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).