2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde

C13H8ClFO2 — CID 58978553

IUPAC2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc(O)c(F)c2)cc1Cl
InChIInChI=1S/C13H8ClFO2/c14-11-5-8(1-2-10(11)7-16)9-3-4-13(17)12(15)6-9/h1-7,17H
InChIKeyLCSXNGMLBKHPEZ-UHFFFAOYSA-N
MW250.66 g/mol
LogP3.66
Rot. Bonds2

About 2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde

2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde (PubChem CID 58978553) has the molecular formula C13H8ClFO2 and a molecular weight of 250.66 g/mol. Its IUPAC name is 2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde.

Molecular Properties

Compound Name2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde
PubChem CID58978553
Molecular FormulaC13H8ClFO2
Molecular Weight250.66 g/mol
Exact Mass250.02
IUPAC Name2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc(O)c(F)c2)cc1Cl
InChIInChI=1S/C13H8ClFO2/c14-11-5-8(1-2-10(11)7-16)9-3-4-13(17)12(15)6-9/h1-7,17H
InChIKeyLCSXNGMLBKHPEZ-UHFFFAOYSA-N
XLogP3.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde 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-chloro-4-(3,5-difluoro-4-hydroxyphenyl)benzaldehyde
CID 58978552
5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde
CID 53220476
2-fluoro-4-(3-fluoro-4-hydroxyphenyl)phenol
CID 520956
2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde
CID 107289689
4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde
CID 53220375
4-(4-chloro-3-methylphenyl)-2-fluorophenol
CID 53219486
2-chloro-4-(3,4,5-trifluorophenyl)phenol
CID 83130414
4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde
CID 107476828
5-(3-chloro-4-methylphenyl)-2-fluorobenzaldehyde
CID 115504092
4-(4-bromo-3-chloro-2-fluorophenyl)-2-chlorobenzaldehyde
CID 106763198
4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde
CID 53220552
5-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde
CID 53220551

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde?
The IUPAC name of 2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde (CID 58978553) is 2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde.
What is the SMILES notation for 2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde?
The canonical SMILES for 2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde is O=Cc1ccc(-c2ccc(O)c(F)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde?
The InChIKey is LCSXNGMLBKHPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFO2/c14-11-5-8(1-2-10(11)7-16)9-3-4-13(17)12(15)6-9/h1-7,17H.
What are the key properties of 2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde?
2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde has a molecular weight of 250.66 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde is sourced from PubChem (CID 58978553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).