(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid

C11H14O3 — CID 42327175

IUPAC(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1cccc(C[C@@H](C)C(=O)O)c1
InChIInChI=1S/C11H14O3/c1-8(11(12)13)6-9-4-3-5-10(7-9)14-2/h3-5,7-8H,6H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyGVLWIDSXTQWCRW-MRVPVSSYSA-N
MW194.23 g/mol
LogP1.96
Rot. Bonds4

About (2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid

(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid (PubChem CID 42327175) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
PubChem CID42327175
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1cccc(C[C@@H](C)C(=O)O)c1
InChIInChI=1S/C11H14O3/c1-8(11(12)13)6-9-4-3-5-10(7-9)14-2/h3-5,7-8H,6H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyGVLWIDSXTQWCRW-MRVPVSSYSA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 67530586
CID 67530586
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
3-(3-ethoxyphenyl)-2-methylpropanoic acid;zinc
CID 175118835
2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 82095275
3-[4-hydroxy-3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2-methylpropanoic acid
CID 122686396
3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid
CID 133241017
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
(2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542673
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82141118
3-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid
CID 120540630

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid?
The IUPAC name of (2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid (CID 42327175) is (2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid is COc1cccc(C[C@@H](C)C(=O)O)c1.
What is the InChIKey of (2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid?
The InChIKey is GVLWIDSXTQWCRW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(11(12)13)6-9-4-3-5-10(7-9)14-2/h3-5,7-8H,6H2,1-2H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid?
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 42327175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).