4-[3-(hydroxymethyl)phenyl]butanoic acid

C11H14O3 — CID 123133673

IUPAC4-[3-(hydroxymethyl)phenyl]butanoic acid
SMILESO=C(O)CCCc1cccc(CO)c1
InChIInChI=1S/C11H14O3/c12-8-10-5-1-3-9(7-10)4-2-6-11(13)14/h1,3,5,7,12H,2,4,6,8H2,(H,13,14)
InChIKeyMCVGZYATBROROW-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.59
Rot. Bonds5

About 4-[3-(hydroxymethyl)phenyl]butanoic acid

4-[3-(hydroxymethyl)phenyl]butanoic acid (PubChem CID 123133673) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)phenyl]butanoic acid
PubChem CID123133673
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-[3-(hydroxymethyl)phenyl]butanoic acid
SMILESO=C(O)CCCc1cccc(CO)c1
InChIInChI=1S/C11H14O3/c12-8-10-5-1-3-9(7-10)4-2-6-11(13)14/h1,3,5,7,12H,2,4,6,8H2,(H,13,14)
InChIKeyMCVGZYATBROROW-UHFFFAOYSA-N
XLogP1.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-[3-(hydroxymethyl)phenyl]heptanoic acid
CID 174451541
4-[3-[(benzylamino)methyl]phenyl]butanoic acid
CID 70047814
4-(3-aminophenyl)butanoic acid;hydrochloride
CID 11715486
[3-(6-phenylhexyl)phenyl]methanol
CID 139920561
4-[[3-(hydroxymethyl)phenyl]methylamino]butanoic acid
CID 107230565
15-(3-iodophenyl)pentadecanoic acid
CID 14771645
19-[3-(18-carboxyoctadeca-7,10-dienyl)phenyl]nonadeca-9,12-dienoic acid
CID 175906228
4-[2-[3-(hydroxymethyl)phenyl]ethyl]benzoic acid
CID 174540929
4-(3-cyclopentylphenyl)butanoic acid
CID 117336755
15-phenylpentadecanoic acid
CID 2737151
4-[3-(1-methoxyethyl)phenyl]butanoic acid
CID 117108370
4-pyren-2-ylbutanoic acid
CID 13113907

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)phenyl]butanoic acid?
The IUPAC name of 4-[3-(hydroxymethyl)phenyl]butanoic acid (CID 123133673) is 4-[3-(hydroxymethyl)phenyl]butanoic acid.
What is the SMILES notation for 4-[3-(hydroxymethyl)phenyl]butanoic acid?
The canonical SMILES for 4-[3-(hydroxymethyl)phenyl]butanoic acid is O=C(O)CCCc1cccc(CO)c1.
What is the InChIKey of 4-[3-(hydroxymethyl)phenyl]butanoic acid?
The InChIKey is MCVGZYATBROROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-8-10-5-1-3-9(7-10)4-2-6-11(13)14/h1,3,5,7,12H,2,4,6,8H2,(H,13,14).
What are the key properties of 4-[3-(hydroxymethyl)phenyl]butanoic acid?
4-[3-(hydroxymethyl)phenyl]butanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)phenyl]butanoic acid is sourced from PubChem (CID 123133673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).