5-(3-hydroxyphenyl)pentanoic acid

C11H14O3 — CID 10559720

IUPAC5-(3-hydroxyphenyl)pentanoic acid
SMILESO=C(O)CCCCc1cccc(O)c1
InChIInChI=1S/C11H14O3/c12-10-6-3-5-9(8-10)4-1-2-7-11(13)14/h3,5-6,8,12H,1-2,4,7H2,(H,13,14)
InChIKeyCMLIEOOXQFWANJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.19
Rot. Bonds5

About 5-(3-hydroxyphenyl)pentanoic acid

5-(3-hydroxyphenyl)pentanoic acid (PubChem CID 10559720) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-(3-hydroxyphenyl)pentanoic acid.

Molecular Properties

Compound Name5-(3-hydroxyphenyl)pentanoic acid
PubChem CID10559720
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name5-(3-hydroxyphenyl)pentanoic acid
SMILESO=C(O)CCCCc1cccc(O)c1
InChIInChI=1S/C11H14O3/c12-10-6-3-5-9(8-10)4-1-2-7-11(13)14/h3,5-6,8,12H,1-2,4,7H2,(H,13,14)
InChIKeyCMLIEOOXQFWANJ-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyphenyl)pentanoic acid?
The IUPAC name of 5-(3-hydroxyphenyl)pentanoic acid (CID 10559720) is 5-(3-hydroxyphenyl)pentanoic acid.
What is the SMILES notation for 5-(3-hydroxyphenyl)pentanoic acid?
The canonical SMILES for 5-(3-hydroxyphenyl)pentanoic acid is O=C(O)CCCCc1cccc(O)c1.
What is the InChIKey of 5-(3-hydroxyphenyl)pentanoic acid?
The InChIKey is CMLIEOOXQFWANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-10-6-3-5-9(8-10)4-1-2-7-11(13)14/h3,5-6,8,12H,1-2,4,7H2,(H,13,14).
What are the key properties of 5-(3-hydroxyphenyl)pentanoic acid?
5-(3-hydroxyphenyl)pentanoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyphenyl)pentanoic acid is sourced from PubChem (CID 10559720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).