4-(3-hydroxypropyl)benzoic acid

C10H12O3 — CID 3041922

IUPAC4-(3-hydroxypropyl)benzoic acid
SMILESO=C(O)c1ccc(CCCO)cc1
InChIInChI=1S/C10H12O3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h3-6,11H,1-2,7H2,(H,12,13)
InChIKeySQVHRJXGOIGDTD-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.31
Rot. Bonds4

About 4-(3-hydroxypropyl)benzoic acid

4-(3-hydroxypropyl)benzoic acid (PubChem CID 3041922) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)benzoic acid.

Molecular Properties

Compound Name4-(3-hydroxypropyl)benzoic acid
PubChem CID3041922
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name4-(3-hydroxypropyl)benzoic acid
SMILESO=C(O)c1ccc(CCCO)cc1
InChIInChI=1S/C10H12O3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h3-6,11H,1-2,7H2,(H,12,13)
InChIKeySQVHRJXGOIGDTD-UHFFFAOYSA-N
XLogP1.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)benzoic acid?
The IUPAC name of 4-(3-hydroxypropyl)benzoic acid (CID 3041922) is 4-(3-hydroxypropyl)benzoic acid.
What is the SMILES notation for 4-(3-hydroxypropyl)benzoic acid?
The canonical SMILES for 4-(3-hydroxypropyl)benzoic acid is O=C(O)c1ccc(CCCO)cc1.
What is the InChIKey of 4-(3-hydroxypropyl)benzoic acid?
The InChIKey is SQVHRJXGOIGDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h3-6,11H,1-2,7H2,(H,12,13).
What are the key properties of 4-(3-hydroxypropyl)benzoic acid?
4-(3-hydroxypropyl)benzoic acid has a molecular weight of 180.20 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)benzoic acid is sourced from PubChem (CID 3041922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).