(2S)-2-methoxy-2-(3-methoxyphenyl)-3-phenylpropanoic acid

C17H18O4 — CID 150337252

IUPAC(2S)-2-methoxy-2-(3-methoxyphenyl)-3-phenylpropanoic acid
SMILESCOc1cccc([C@](Cc2ccccc2)(OC)C(=O)O)c1
InChIInChI=1S/C17H18O4/c1-20-15-10-6-9-14(11-15)17(21-2,16(18)19)12-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H,18,19)/t17-/m0/s1
InChIKeyGQYDJIYBIODILS-KRWDZBQOSA-N
MW286.33 g/mol
LogP2.86
Rot. Bonds6

About (2S)-2-methoxy-2-(3-methoxyphenyl)-3-phenylpropanoic acid

(2S)-2-methoxy-2-(3-methoxyphenyl)-3-phenylpropanoic acid (PubChem CID 150337252) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S)-2-methoxy-2-(3-methoxyphenyl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-methoxy-2-(3-methoxyphenyl)-3-phenylpropanoic acid
PubChem CID150337252
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name(2S)-2-methoxy-2-(3-methoxyphenyl)-3-phenylpropanoic acid
SMILESCOc1cccc([C@](Cc2ccccc2)(OC)C(=O)O)c1
InChIInChI=1S/C17H18O4/c1-20-15-10-6-9-14(11-15)17(21-2,16(18)19)12-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H,18,19)/t17-/m0/s1
InChIKeyGQYDJIYBIODILS-KRWDZBQOSA-N
XLogP2.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 43810200
ethyl (2S)-2-(aminomethyl)-2-(3-methoxyphenyl)-3-phenylpropanoate
CID 124561920
2-amino-N-[2-(3-methoxyphenyl)-1-phenylpropan-2-yl]acetamide
CID 15115342
2-methoxy-2-[(3-methoxyphenyl)methyl]propanedioic acid
CID 146282656
2-amino-3-(3-methoxyphenyl)-3-methyl-4-phenylbutanamide
CID 142629845
2-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
2-ethyl-2-(3-methoxyphenyl)propanedioic acid
CID 165450739
2-bromo-2-(3-methoxyphenyl)propanoic acid
CID 19795685
2-(3-methoxyphenyl)propane-1,2,3-tricarboxylic acid
CID 170564927
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylbutanoic acid
CID 119201964
2-amino-2-(3-methoxyphenyl)propanoic acid
CID 4018837
2-(4-chlorophenyl)-3-phenyl-2-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 163810081

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-(3-methoxyphenyl)-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-methoxy-2-(3-methoxyphenyl)-3-phenylpropanoic acid (CID 150337252) is (2S)-2-methoxy-2-(3-methoxyphenyl)-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-methoxy-2-(3-methoxyphenyl)-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-methoxy-2-(3-methoxyphenyl)-3-phenylpropanoic acid is COc1cccc([C@](Cc2ccccc2)(OC)C(=O)O)c1.
What is the InChIKey of (2S)-2-methoxy-2-(3-methoxyphenyl)-3-phenylpropanoic acid?
The InChIKey is GQYDJIYBIODILS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18O4/c1-20-15-10-6-9-14(11-15)17(21-2,16(18)19)12-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H,18,19)/t17-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-(3-methoxyphenyl)-3-phenylpropanoic acid?
(2S)-2-methoxy-2-(3-methoxyphenyl)-3-phenylpropanoic acid has a molecular weight of 286.33 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-(3-methoxyphenyl)-3-phenylpropanoic acid is sourced from PubChem (CID 150337252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).