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

C17H18O3 — CID 100525412

IUPAC(2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C[C@@H](Oc2ccccc2C)C(=O)O)cc1
InChIInChI=1S/C17H18O3/c1-12-7-9-14(10-8-12)11-16(17(18)19)20-15-6-4-3-5-13(15)2/h3-10,16H,11H2,1-2H3,(H,18,19)/t16-/m1/s1
InChIKeyDQVZOTVVVDAPKZ-MRXNPFEDSA-N
MW270.33 g/mol
LogP3.38
Rot. Bonds5

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

(2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid (PubChem CID 100525412) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid
PubChem CID100525412
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C[C@@H](Oc2ccccc2C)C(=O)O)cc1
InChIInChI=1S/C17H18O3/c1-12-7-9-14(10-8-12)11-16(17(18)19)20-15-6-4-3-5-13(15)2/h3-10,16H,11H2,1-2H3,(H,18,19)/t16-/m1/s1
InChIKeyDQVZOTVVVDAPKZ-MRXNPFEDSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245535
(2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100526538
(2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100529624
ethane;(2R)-2-(2-methylphenoxy)butanoic acid
CID 143919968
(2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 100531990
3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245331
(2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 100533098
(2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 100530459
(2S)-2-(4-methoxyphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525673
3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245576
2-(2-methylphenoxy)-3-(propan-2-ylamino)propanoic acid
CID 112518216
2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 133241102

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid?
The IUPAC name of (2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid (CID 100525412) is (2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid is Cc1ccc(C[C@@H](Oc2ccccc2C)C(=O)O)cc1.
What is the InChIKey of (2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid?
The InChIKey is DQVZOTVVVDAPKZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18O3/c1-12-7-9-14(10-8-12)11-16(17(18)19)20-15-6-4-3-5-13(15)2/h3-10,16H,11H2,1-2H3,(H,18,19)/t16-/m1/s1.
What are the key properties of (2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid?
(2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 100525412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).