2-[(3-hydroxyphenyl)methyl]butanoic acid

C11H14O3 — CID 2778009

IUPAC2-[(3-hydroxyphenyl)methyl]butanoic acid
SMILESCCC(Cc1cccc(O)c1)C(=O)O
InChIInChI=1S/C11H14O3/c1-2-9(11(13)14)6-8-4-3-5-10(12)7-8/h3-5,7,9,12H,2,6H2,1H3,(H,13,14)
InChIKeyAPDIHWXZDGCAGL-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.05
Rot. Bonds4

About 2-[(3-hydroxyphenyl)methyl]butanoic acid

2-[(3-hydroxyphenyl)methyl]butanoic acid (PubChem CID 2778009) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[(3-hydroxyphenyl)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(3-hydroxyphenyl)methyl]butanoic acid
PubChem CID2778009
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-[(3-hydroxyphenyl)methyl]butanoic acid
SMILESCCC(Cc1cccc(O)c1)C(=O)O
InChIInChI=1S/C11H14O3/c1-2-9(11(13)14)6-8-4-3-5-10(12)7-8/h3-5,7,9,12H,2,6H2,1H3,(H,13,14)
InChIKeyAPDIHWXZDGCAGL-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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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenyl)methyl]butanoic acid?
The IUPAC name of 2-[(3-hydroxyphenyl)methyl]butanoic acid (CID 2778009) is 2-[(3-hydroxyphenyl)methyl]butanoic acid.
What is the SMILES notation for 2-[(3-hydroxyphenyl)methyl]butanoic acid?
The canonical SMILES for 2-[(3-hydroxyphenyl)methyl]butanoic acid is CCC(Cc1cccc(O)c1)C(=O)O.
What is the InChIKey of 2-[(3-hydroxyphenyl)methyl]butanoic acid?
The InChIKey is APDIHWXZDGCAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-9(11(13)14)6-8-4-3-5-10(12)7-8/h3-5,7,9,12H,2,6H2,1H3,(H,13,14).
What are the key properties of 2-[(3-hydroxyphenyl)methyl]butanoic acid?
2-[(3-hydroxyphenyl)methyl]butanoic 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 2-[(3-hydroxyphenyl)methyl]butanoic acid is sourced from PubChem (CID 2778009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).