(Z)-hex-3-en-1-ol;2-hydroxybenzoic acid

C13H18O4 — CID 174957389

IUPAC(Z)-hex-3-en-1-ol;2-hydroxybenzoic acid
SMILESCC/C=C\CCO.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C6H12O/c8-6-4-2-1-3-5(6)7(9)10;1-2-3-4-5-6-7/h1-4,8H,(H,9,10);3-4,7H,2,5-6H2,1H3/b;4-3-
InChIKeyAQRBJKLDYVDSSQ-QGAMPUOQSA-N
MW238.28 g/mol
LogP2.43
Rot. Bonds4

About (Z)-hex-3-en-1-ol;2-hydroxybenzoic acid

(Z)-hex-3-en-1-ol;2-hydroxybenzoic acid (PubChem CID 174957389) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is (Z)-hex-3-en-1-ol;2-hydroxybenzoic acid.

Molecular Properties

Compound Name(Z)-hex-3-en-1-ol;2-hydroxybenzoic acid
PubChem CID174957389
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(Z)-hex-3-en-1-ol;2-hydroxybenzoic acid
SMILESCC/C=C\CCO.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C6H12O/c8-6-4-2-1-3-5(6)7(9)10;1-2-3-4-5-6-7/h1-4,8H,(H,9,10);3-4,7H,2,5-6H2,1H3/b;4-3-
InChIKeyAQRBJKLDYVDSSQ-QGAMPUOQSA-N
XLogP2.43
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-hex-3-en-1-ol;2-hydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-aminobenzoic acid;(Z)-hex-3-en-1-ol
CID 170839985
2-hydroxybenzoic acid;(E)-pent-2-ene
CID 118482881
2-but-1-enylbenzoic acid
CID 66860810
ethanol;ethoxyethane;2-hydroxybenzoic acid
CID 69130253
2-hydroxybenzoic acid;silver
CID 87326670
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161

Frequently Asked Questions

What is the IUPAC name of (Z)-hex-3-en-1-ol;2-hydroxybenzoic acid?
The IUPAC name of (Z)-hex-3-en-1-ol;2-hydroxybenzoic acid (CID 174957389) is (Z)-hex-3-en-1-ol;2-hydroxybenzoic acid.
What is the SMILES notation for (Z)-hex-3-en-1-ol;2-hydroxybenzoic acid?
The canonical SMILES for (Z)-hex-3-en-1-ol;2-hydroxybenzoic acid is CC/C=C\CCO.O=C(O)c1ccccc1O.
What is the InChIKey of (Z)-hex-3-en-1-ol;2-hydroxybenzoic acid?
The InChIKey is AQRBJKLDYVDSSQ-QGAMPUOQSA-N. The full InChI is InChI=1S/C7H6O3.C6H12O/c8-6-4-2-1-3-5(6)7(9)10;1-2-3-4-5-6-7/h1-4,8H,(H,9,10);3-4,7H,2,5-6H2,1H3/b;4-3-.
What are the key properties of (Z)-hex-3-en-1-ol;2-hydroxybenzoic acid?
(Z)-hex-3-en-1-ol;2-hydroxybenzoic acid has a molecular weight of 238.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hex-3-en-1-ol;2-hydroxybenzoic acid is sourced from PubChem (CID 174957389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).