3-dec-2-enyl-4-hydroxybenzoic acid

C17H24O3 — CID 158619955

IUPAC3-dec-2-enyl-4-hydroxybenzoic acid
SMILESCCCCCCCC=CCc1cc(C(=O)O)ccc1O
InChIInChI=1S/C17H24O3/c1-2-3-4-5-6-7-8-9-10-14-13-15(17(19)20)11-12-16(14)18/h8-9,11-13,18H,2-7,10H2,1H3,(H,19,20)
InChIKeyROZZZFYIUGQQEX-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.55
Rot. Bonds9

About 3-dec-2-enyl-4-hydroxybenzoic acid

3-dec-2-enyl-4-hydroxybenzoic acid (PubChem CID 158619955) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-dec-2-enyl-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-dec-2-enyl-4-hydroxybenzoic acid
PubChem CID158619955
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name3-dec-2-enyl-4-hydroxybenzoic acid
SMILESCCCCCCCC=CCc1cc(C(=O)O)ccc1O
InChIInChI=1S/C17H24O3/c1-2-3-4-5-6-7-8-9-10-14-13-15(17(19)20)11-12-16(14)18/h8-9,11-13,18H,2-7,10H2,1H3,(H,19,20)
InChIKeyROZZZFYIUGQQEX-UHFFFAOYSA-N
XLogP4.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-[(E)-oct-2-enyl]benzaldehyde
CID 19375121
3,4-bis(octadec-9-enoxy)benzoic acid
CID 67144048
3,4-didodecylbenzoic acid
CID 71073316
2-hexadec-2-enyl-5-methylbenzene-1,4-diol
CID 67844524
4-[(E)-octadec-9-enyl]benzoic acid
CID 67928676
3-octadec-7-enylbenzoic acid
CID 142668812
3-hydroxy-4-undecylbenzoic acid
CID 101311225
4-[(E)-non-1-enyl]benzoic acid
CID 19834795
2-hydroxy-5-[(Z)-octadec-9-enyl]benzoic acid
CID 67602117
3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid
CID 70424443
4-(hexadec-4-enylamino)-3-methylbenzoic acid
CID 54038503
4-[[(E)-hexadec-4-enyl]amino]-3-methylbenzoic acid
CID 20536479

Frequently Asked Questions

What is the IUPAC name of 3-dec-2-enyl-4-hydroxybenzoic acid?
The IUPAC name of 3-dec-2-enyl-4-hydroxybenzoic acid (CID 158619955) is 3-dec-2-enyl-4-hydroxybenzoic acid.
What is the SMILES notation for 3-dec-2-enyl-4-hydroxybenzoic acid?
The canonical SMILES for 3-dec-2-enyl-4-hydroxybenzoic acid is CCCCCCCC=CCc1cc(C(=O)O)ccc1O.
What is the InChIKey of 3-dec-2-enyl-4-hydroxybenzoic acid?
The InChIKey is ROZZZFYIUGQQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-2-3-4-5-6-7-8-9-10-14-13-15(17(19)20)11-12-16(14)18/h8-9,11-13,18H,2-7,10H2,1H3,(H,19,20).
What are the key properties of 3-dec-2-enyl-4-hydroxybenzoic acid?
3-dec-2-enyl-4-hydroxybenzoic acid has a molecular weight of 276.38 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dec-2-enyl-4-hydroxybenzoic acid is sourced from PubChem (CID 158619955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).