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

C11H14O3 — CID 118199604

IUPAC(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
SMILESCOc1cc([C@@H](C)C(=O)O)ccc1C
InChIInChI=1S/C11H14O3/c1-7-4-5-9(6-10(7)14-3)8(2)11(12)13/h4-6,8H,1-3H3,(H,12,13)/t8-/m1/s1
InChIKeyYGKGMPCAMVECIW-MRVPVSSYSA-N
MW194.23 g/mol
LogP2.19
Rot. Bonds3

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

(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid (PubChem CID 118199604) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2R)-2-(3-methoxy-4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
PubChem CID118199604
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
SMILESCOc1cc([C@@H](C)C(=O)O)ccc1C
InChIInChI=1S/C11H14O3/c1-7-4-5-9(6-10(7)14-3)8(2)11(12)13/h4-6,8H,1-3H3,(H,12,13)/t8-/m1/s1
InChIKeyYGKGMPCAMVECIW-MRVPVSSYSA-N
XLogP2.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(3-methoxy-4-methylphenyl)butan-2-one
CID 143900211
2-(4-bromo-3-methoxyphenyl)propanoic acid
CID 83733451
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
2-(3,4-dimethoxy-5-methylphenyl)propanoic acid
CID 117321873
1-amino-1-(3-methoxy-4-methylphenyl)propan-2-one
CID 55296322
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818
1-chloro-1-(3-methoxy-4-methylphenyl)propan-2-one
CID 130894180
2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid
CID 117302887
2-(4-methoxy-3-methylsulfonylphenyl)propanoic acid
CID 117399322
2-methoxy-1-methyl-4-(1-phenylethyl)benzene
CID 57234669
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxy-4-methylphenyl)propanoic acid?
The IUPAC name of (2R)-2-(3-methoxy-4-methylphenyl)propanoic acid (CID 118199604) is (2R)-2-(3-methoxy-4-methylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(3-methoxy-4-methylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(3-methoxy-4-methylphenyl)propanoic acid is COc1cc([C@@H](C)C(=O)O)ccc1C.
What is the InChIKey of (2R)-2-(3-methoxy-4-methylphenyl)propanoic acid?
The InChIKey is YGKGMPCAMVECIW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-4-5-9(6-10(7)14-3)8(2)11(12)13/h4-6,8H,1-3H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-(3-methoxy-4-methylphenyl)propanoic acid?
(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxy-4-methylphenyl)propanoic acid is sourced from PubChem (CID 118199604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).