(2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid

C17H17ClO3 — CID 100525071

IUPAC(2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid
SMILESCc1cccc(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)O)c1
InChIInChI=1S/C17H17ClO3/c1-11-4-3-5-13(8-11)10-16(17(19)20)21-14-6-7-15(18)12(2)9-14/h3-9,16H,10H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyQBKPSPOZTLGBOX-MRXNPFEDSA-N
MW304.77 g/mol
LogP4.03
Rot. Bonds5

About (2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid

(2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid (PubChem CID 100525071) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid
PubChem CID100525071
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name(2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid
SMILESCc1cccc(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)O)c1
InChIInChI=1S/C17H17ClO3/c1-11-4-3-5-13(8-11)10-16(17(19)20)21-14-6-7-15(18)12(2)9-14/h3-9,16H,10H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyQBKPSPOZTLGBOX-MRXNPFEDSA-N
XLogP4.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methylphenoxy)-3-(3,5-dimethylphenyl)propanoic acid
CID 133245203
(2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100525262
3-(3-chloro-4-methylphenyl)-2-(3-methylphenoxy)propanoic acid
CID 133245536
(2S)-3-(3-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100525101
2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid
CID 133148719
(2S)-3-(3-chloro-4-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanoic acid
CID 100547805
(2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid
CID 100540560
3-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid
CID 133241237
2-[4-(3-methylphenyl)phenoxy]-3-phenylpropanoic acid
CID 71544681
(2S)-2-(3,4-dimethylphenoxy)-3-(3,4-dimethylphenyl)propanoic acid
CID 100528641
3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid
CID 133245547
(2S)-3-(3-chlorophenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100533934

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid?
The IUPAC name of (2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid (CID 100525071) is (2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid is Cc1cccc(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)O)c1.
What is the InChIKey of (2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid?
The InChIKey is QBKPSPOZTLGBOX-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-11-4-3-5-13(8-11)10-16(17(19)20)21-14-6-7-15(18)12(2)9-14/h3-9,16H,10H2,1-2H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid?
(2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid has a molecular weight of 304.77 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid is sourced from PubChem (CID 100525071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).