(3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid

C10H12O3 — CID 11708164

IUPAC(3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid
SMILESCc1cccc([C@H](O)CC(=O)O)c1
InChIInChI=1S/C10H12O3/c1-7-3-2-4-8(5-7)9(11)6-10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyTTXQMIYGIMBGQT-SECBINFHSA-N
MW180.20 g/mol
LogP1.50
Rot. Bonds3

About (3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid

(3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid (PubChem CID 11708164) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid
PubChem CID11708164
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid
SMILESCc1cccc([C@H](O)CC(=O)O)c1
InChIInChI=1S/C10H12O3/c1-7-3-2-4-8(5-7)9(11)6-10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyTTXQMIYGIMBGQT-SECBINFHSA-N
XLogP1.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-4-(3-methylphenyl)butan-2-one
CID 14268468
(3S)-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 11673188
3-acetamido-3-(3-methylphenyl)propanoic acid
CID 63650206
3-(diethylamino)-3-(3-methylphenyl)propanoic acid
CID 64526213
(3S)-3-(4-fluorophenyl)-3-(3-methylphenyl)propanoic acid
CID 42073733
3-[3-(3-methylphenyl)phenyl]butanoic acid
CID 82543319
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
3-(butanoylamino)-3-(3-methylphenyl)propanoic acid
CID 112508722
3-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 3730733
(1S)-1-(3-methylphenyl)but-3-en-1-ol
CID 15936639
4-[[(1R)-1-(3-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 81363109
2-(3-methylphenyl)-3-trimethylsilylpropanoic acid
CID 106322983

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid?
The IUPAC name of (3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid (CID 11708164) is (3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid.
What is the SMILES notation for (3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid?
The canonical SMILES for (3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid is Cc1cccc([C@H](O)CC(=O)O)c1.
What is the InChIKey of (3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid?
The InChIKey is TTXQMIYGIMBGQT-SECBINFHSA-N. The full InChI is InChI=1S/C10H12O3/c1-7-3-2-4-8(5-7)9(11)6-10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid?
(3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid has a molecular weight of 180.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid is sourced from PubChem (CID 11708164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).