4-[4-(hydroxymethyl)phenyl]pentanoic acid

C12H16O3 — CID 172883512

IUPAC4-[4-(hydroxymethyl)phenyl]pentanoic acid
SMILESCC(CCC(=O)O)c1ccc(CO)cc1
InChIInChI=1S/C12H16O3/c1-9(2-7-12(14)15)11-5-3-10(8-13)4-6-11/h3-6,9,13H,2,7-8H2,1H3,(H,14,15)
InChIKeyBFTPNYVZJQIYGG-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.15
Rot. Bonds5

About 4-[4-(hydroxymethyl)phenyl]pentanoic acid

4-[4-(hydroxymethyl)phenyl]pentanoic acid (PubChem CID 172883512) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)phenyl]pentanoic acid.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)phenyl]pentanoic acid
PubChem CID172883512
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name4-[4-(hydroxymethyl)phenyl]pentanoic acid
SMILESCC(CCC(=O)O)c1ccc(CO)cc1
InChIInChI=1S/C12H16O3/c1-9(2-7-12(14)15)11-5-3-10(8-13)4-6-11/h3-6,9,13H,2,7-8H2,1H3,(H,14,15)
InChIKeyBFTPNYVZJQIYGG-UHFFFAOYSA-N
XLogP2.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-formylphenyl)pentanoic acid
CID 23962618
[4-(4-aminobutan-2-yl)phenyl]methanol
CID 84767971
(2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol
CID 10374791
4-[4-(propylsulfonylamino)phenyl]pentanoic acid
CID 115420755
4-hydroxy-7-[4-(hydroxymethyl)phenyl]-7-oxoheptanoic acid
CID 174407683
acetic acid;[4-(hydroxymethyl)phenyl]methanol
CID 71354218
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
CID 115420745
4-(6-methoxynaphthalen-2-yl)pentanoic acid
CID 113306207
4-[4-(1-aminopropan-2-yl)phenyl]butanoic acid
CID 57275186
(6S)-6-[4-(hydroxymethyl)phenyl]-2-methylhept-2-en-4-one
CID 177484768
(1S)-1-[4-(hydroxymethyl)phenyl]ethanol
CID 130747007
4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid
CID 116525810

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)phenyl]pentanoic acid?
The IUPAC name of 4-[4-(hydroxymethyl)phenyl]pentanoic acid (CID 172883512) is 4-[4-(hydroxymethyl)phenyl]pentanoic acid.
What is the SMILES notation for 4-[4-(hydroxymethyl)phenyl]pentanoic acid?
The canonical SMILES for 4-[4-(hydroxymethyl)phenyl]pentanoic acid is CC(CCC(=O)O)c1ccc(CO)cc1.
What is the InChIKey of 4-[4-(hydroxymethyl)phenyl]pentanoic acid?
The InChIKey is BFTPNYVZJQIYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9(2-7-12(14)15)11-5-3-10(8-13)4-6-11/h3-6,9,13H,2,7-8H2,1H3,(H,14,15).
What are the key properties of 4-[4-(hydroxymethyl)phenyl]pentanoic acid?
4-[4-(hydroxymethyl)phenyl]pentanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)phenyl]pentanoic acid is sourced from PubChem (CID 172883512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).