(2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid

C10H11ClO3 — CID 10353214

IUPAC(2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid
SMILESC[C@@H](COc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H11ClO3/c1-7(10(12)13)6-14-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyQBMLNKIBTFLJQG-ZETCQYMHSA-N
MW214.65 g/mol
LogP2.44
Rot. Bonds4

About (2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid

(2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid (PubChem CID 10353214) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is (2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid
PubChem CID10353214
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name(2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid
SMILESC[C@@H](COc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C10H11ClO3/c1-7(10(12)13)6-14-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyQBMLNKIBTFLJQG-ZETCQYMHSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-chlorophenyl)sulfonylphenoxy]-2-methylpropanoic acid
CID 54514935
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
methyl 3-(4-chlorophenoxy)-2-methylpropanoate
CID 43537622
3-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid;2-pyridin-2-ylacetic acid
CID 70482764
3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid
CID 43538057
2-(4-chlorophenoxy)-2-[4-[2-(4-chlorophenoxy)propoxy]phenyl]acetic acid
CID 22761125
2-methyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanoic acid
CID 43537499
3-[4-(N-carbamoyl-3,4,5-trichloroanilino)phenoxy]-2-methylpropanoic acid
CID 54311394
methyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate
CID 99737689
3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid
CID 117245303
2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 43537580
2-[3-(4-chlorophenoxy)propyl]propanedioic acid
CID 131842659

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid?
The IUPAC name of (2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid (CID 10353214) is (2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid.
What is the SMILES notation for (2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid?
The canonical SMILES for (2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid is C[C@@H](COc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid?
The InChIKey is QBMLNKIBTFLJQG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-7(10(12)13)6-14-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid?
(2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid has a molecular weight of 214.65 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid is sourced from PubChem (CID 10353214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).