4-(4-hydroxyphenyl)-3-methylbutanoic acid

C11H14O3 — CID 23378394

IUPAC4-(4-hydroxyphenyl)-3-methylbutanoic acid
SMILESCC(CC(=O)O)Cc1ccc(O)cc1
InChIInChI=1S/C11H14O3/c1-8(7-11(13)14)6-9-2-4-10(12)5-3-9/h2-5,8,12H,6-7H2,1H3,(H,13,14)
InChIKeyVGPJAMCNIRQQHG-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.05
Rot. Bonds4

About 4-(4-hydroxyphenyl)-3-methylbutanoic acid

4-(4-hydroxyphenyl)-3-methylbutanoic acid (PubChem CID 23378394) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-3-methylbutanoic acid
PubChem CID23378394
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-(4-hydroxyphenyl)-3-methylbutanoic acid
SMILESCC(CC(=O)O)Cc1ccc(O)cc1
InChIInChI=1S/C11H14O3/c1-8(7-11(13)14)6-9-2-4-10(12)5-3-9/h2-5,8,12H,6-7H2,1H3,(H,13,14)
InChIKeyVGPJAMCNIRQQHG-UHFFFAOYSA-N
XLogP2.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(4-nitrosophenyl)butanoic acid
CID 141439546
(3S)-3-methyl-4-(4-nitrophenyl)butanoic acid
CID 70958911
3-methyl-4-(4-pyridin-4-ylphenyl)butanoic acid
CID 82543408
4-(2-methylpropyl)phenol;propanoic acid
CID 174874916
4-[(2S)-2-aminopropyl]phenol;(4S)-5-(4-hydroxyphenyl)-4-methylpentan-2-one;hydrochloride
CID 158091851
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416
4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
CID 166697370
4-(3,4-difluorophenyl)-3-methylbutanoic acid
CID 82935908
4-(3-methoxy-2-methylpropyl)phenol
CID 143413207
4-(4-cyclohexylphenyl)-3-methylbutanoic acid
CID 116926748
4-[4-(2-chlorophenyl)phenyl]-3-methylbutanoic acid
CID 82543182
4-(4-hydroxyphenyl)-3-phenylbutanoic acid
CID 18772164

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-3-methylbutanoic acid?
The IUPAC name of 4-(4-hydroxyphenyl)-3-methylbutanoic acid (CID 23378394) is 4-(4-hydroxyphenyl)-3-methylbutanoic acid.
What is the SMILES notation for 4-(4-hydroxyphenyl)-3-methylbutanoic acid?
The canonical SMILES for 4-(4-hydroxyphenyl)-3-methylbutanoic acid is CC(CC(=O)O)Cc1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)-3-methylbutanoic acid?
The InChIKey is VGPJAMCNIRQQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(7-11(13)14)6-9-2-4-10(12)5-3-9/h2-5,8,12H,6-7H2,1H3,(H,13,14).
What are the key properties of 4-(4-hydroxyphenyl)-3-methylbutanoic acid?
4-(4-hydroxyphenyl)-3-methylbutanoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-3-methylbutanoic acid is sourced from PubChem (CID 23378394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).