(2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid

C12H16O3 — CID 90059046

IUPAC(2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid
SMILESCC(C)[C@@H](Cc1cccc(O)c1)C(=O)O
InChIInChI=1S/C12H16O3/c1-8(2)11(12(14)15)7-9-4-3-5-10(13)6-9/h3-6,8,11,13H,7H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyKIDILHAMWCASAY-LLVKDONJSA-N
MW208.26 g/mol
LogP2.29
Rot. Bonds4

About (2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid

(2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid (PubChem CID 90059046) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid
PubChem CID90059046
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid
SMILESCC(C)[C@@H](Cc1cccc(O)c1)C(=O)O
InChIInChI=1S/C12H16O3/c1-8(2)11(12(14)15)7-9-4-3-5-10(13)6-9/h3-6,8,11,13H,7H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyKIDILHAMWCASAY-LLVKDONJSA-N
XLogP2.29
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125
(2R)-2-[(3-hydroxyphenyl)methoxy]propanoic acid
CID 104875246
3-(2-sulfanylpropyl)phenol
CID 115013475
3-(2-nitropropyl)phenol
CID 55250663
3-methyl-2-[(6-methylnaphthalen-2-yl)methyl]butanoic acid
CID 116930730
3-[3-(hydroxymethyl)-4-(3-hydroxyphenyl)-2-methylbutyl]phenol
CID 142337153
3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid
CID 112758397
benzene-1,3-diol;2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 70397497
2-[(3-hydroxyphenyl)methyl]-3-phosphonopropanoic acid
CID 11065160
cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate
CID 144688794
(2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid
CID 124549291
5-amino-2-[(3-hydroxyphenyl)methyl]pentanoic acid
CID 104681339

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid (CID 90059046) is (2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid is CC(C)[C@@H](Cc1cccc(O)c1)C(=O)O.
What is the InChIKey of (2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid?
The InChIKey is KIDILHAMWCASAY-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16O3/c1-8(2)11(12(14)15)7-9-4-3-5-10(13)6-9/h3-6,8,11,13H,7H2,1-2H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid?
(2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid is sourced from PubChem (CID 90059046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).