4-(4-chlorobut-1-enyl)-2-hydroxybenzaldehyde

C11H11ClO2 — CID 170498999

IUPAC4-(4-chlorobut-1-enyl)-2-hydroxybenzaldehyde
SMILESO=Cc1ccc(C=CCCCl)cc1O
InChIInChI=1S/C11H11ClO2/c12-6-2-1-3-9-4-5-10(8-13)11(14)7-9/h1,3-5,7-8,14H,2,6H2
InChIKeyJHMJAFDMCWHONN-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.85
Rot. Bonds4

About 4-(4-chlorobut-1-enyl)-2-hydroxybenzaldehyde

4-(4-chlorobut-1-enyl)-2-hydroxybenzaldehyde (PubChem CID 170498999) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 4-(4-chlorobut-1-enyl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-(4-chlorobut-1-enyl)-2-hydroxybenzaldehyde
PubChem CID170498999
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name4-(4-chlorobut-1-enyl)-2-hydroxybenzaldehyde
SMILESO=Cc1ccc(C=CCCCl)cc1O
InChIInChI=1S/C11H11ClO2/c12-6-2-1-3-9-4-5-10(8-13)11(14)7-9/h1,3-5,7-8,14H,2,6H2
InChIKeyJHMJAFDMCWHONN-UHFFFAOYSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-chlorobut-1-enyl)-2-hydroxybenzaldehyde 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-hydroxy-4-(4-oxobut-1-enyl)benzaldehyde
CID 170481714
4-(4-azidobut-1-enyl)-2-hydroxybenzaldehyde
CID 170485123
2-hydroxy-4-(3-oxoprop-1-enyl)benzaldehyde
CID 169458960
3-chloro-4-(4-chlorobut-1-enyl)benzaldehyde
CID 170499030
5-(4-chlorobut-1-enyl)-2-methoxybenzaldehyde
CID 170499390
5-(4-chlorobut-1-enyl)-2-hydroxybenzamide
CID 170499566
4-(4-chlorobut-1-enyl)-2-nitrophenol
CID 170499602
2-tert-butyl-4-(4-chlorobut-1-enyl)phenol
CID 170499691
2-hydroxy-4-methanethioylbenzaldehyde
CID 123184557
2-hydroxy-5-(4-oxobut-1-enyl)benzaldehyde
CID 170481700
6-(4-chlorobut-1-enyl)-1,3-benzothiazole
CID 170499284
N-[4-(4-chlorobut-1-enyl)phenyl]acetamide
CID 170499596

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobut-1-enyl)-2-hydroxybenzaldehyde?
The IUPAC name of 4-(4-chlorobut-1-enyl)-2-hydroxybenzaldehyde (CID 170498999) is 4-(4-chlorobut-1-enyl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 4-(4-chlorobut-1-enyl)-2-hydroxybenzaldehyde?
The canonical SMILES for 4-(4-chlorobut-1-enyl)-2-hydroxybenzaldehyde is O=Cc1ccc(C=CCCCl)cc1O.
What is the InChIKey of 4-(4-chlorobut-1-enyl)-2-hydroxybenzaldehyde?
The InChIKey is JHMJAFDMCWHONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c12-6-2-1-3-9-4-5-10(8-13)11(14)7-9/h1,3-5,7-8,14H,2,6H2.
What are the key properties of 4-(4-chlorobut-1-enyl)-2-hydroxybenzaldehyde?
4-(4-chlorobut-1-enyl)-2-hydroxybenzaldehyde has a molecular weight of 210.66 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobut-1-enyl)-2-hydroxybenzaldehyde is sourced from PubChem (CID 170498999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).