(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid

C17H18O3 — CID 95561857

IUPAC(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid
SMILESCOc1cccc(CC[C@@H](C(=O)O)c2ccccc2)c1
InChIInChI=1S/C17H18O3/c1-20-15-9-5-6-13(12-15)10-11-16(17(18)19)14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyMMHUEZJAURUVAD-MRXNPFEDSA-N
MW270.33 g/mol
LogP3.50
Rot. Bonds6

About (2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid

(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid (PubChem CID 95561857) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid.

Molecular Properties

Compound Name(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid
PubChem CID95561857
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid
SMILESCOc1cccc(CC[C@@H](C(=O)O)c2ccccc2)c1
InChIInChI=1S/C17H18O3/c1-20-15-9-5-6-13(12-15)10-11-16(17(18)19)14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyMMHUEZJAURUVAD-MRXNPFEDSA-N
XLogP3.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid
CID 125491469
(2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid
CID 125466189
(2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid
CID 125466001
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111536720
2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 107851262
5-(4-methoxyphenyl)-2-phenylpentanoic acid
CID 81008725
3-(3-methoxyphenyl)-N-methyl-1-phenylpropan-1-amine
CID 54891056
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
(3-methoxyphenyl)methyl 3-amino-2-phenylpropanoate
CID 62879024
3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
CID 22687005
2-(3-methylphenyl)-4-phenylbutanoic acid
CID 79436887

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid?
The IUPAC name of (2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid (CID 95561857) is (2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid.
What is the SMILES notation for (2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid?
The canonical SMILES for (2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid is COc1cccc(CC[C@@H](C(=O)O)c2ccccc2)c1.
What is the InChIKey of (2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid?
The InChIKey is MMHUEZJAURUVAD-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18O3/c1-20-15-9-5-6-13(12-15)10-11-16(17(18)19)14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3,(H,18,19)/t16-/m1/s1.
What are the key properties of (2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid?
(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid is sourced from PubChem (CID 95561857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).