2-chloro-4-(3,5-difluoro-4-hydroxyphenyl)benzaldehyde

C13H7ClF2O2 — CID 58978552

IUPAC2-chloro-4-(3,5-difluoro-4-hydroxyphenyl)benzaldehyde
SMILESO=Cc1ccc(-c2cc(F)c(O)c(F)c2)cc1Cl
InChIInChI=1S/C13H7ClF2O2/c14-10-3-7(1-2-8(10)6-17)9-4-11(15)13(18)12(16)5-9/h1-6,18H
InChIKeySZUBSPBGHSGOLN-UHFFFAOYSA-N
MW268.65 g/mol
LogP3.80
Rot. Bonds2

About 2-chloro-4-(3,5-difluoro-4-hydroxyphenyl)benzaldehyde

2-chloro-4-(3,5-difluoro-4-hydroxyphenyl)benzaldehyde (PubChem CID 58978552) has the molecular formula C13H7ClF2O2 and a molecular weight of 268.65 g/mol. Its IUPAC name is 2-chloro-4-(3,5-difluoro-4-hydroxyphenyl)benzaldehyde.

Molecular Properties

Compound Name2-chloro-4-(3,5-difluoro-4-hydroxyphenyl)benzaldehyde
PubChem CID58978552
Molecular FormulaC13H7ClF2O2
Molecular Weight268.65 g/mol
Exact Mass268.01
IUPAC Name2-chloro-4-(3,5-difluoro-4-hydroxyphenyl)benzaldehyde
SMILESO=Cc1ccc(-c2cc(F)c(O)c(F)c2)cc1Cl
InChIInChI=1S/C13H7ClF2O2/c14-10-3-7(1-2-8(10)6-17)9-4-11(15)13(18)12(16)5-9/h1-6,18H
InChIKeySZUBSPBGHSGOLN-UHFFFAOYSA-N
XLogP3.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.65
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,5-difluoro-4-hydroxyphenyl)benzaldehyde?
The IUPAC name of 2-chloro-4-(3,5-difluoro-4-hydroxyphenyl)benzaldehyde (CID 58978552) is 2-chloro-4-(3,5-difluoro-4-hydroxyphenyl)benzaldehyde.
What is the SMILES notation for 2-chloro-4-(3,5-difluoro-4-hydroxyphenyl)benzaldehyde?
The canonical SMILES for 2-chloro-4-(3,5-difluoro-4-hydroxyphenyl)benzaldehyde is O=Cc1ccc(-c2cc(F)c(O)c(F)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-(3,5-difluoro-4-hydroxyphenyl)benzaldehyde?
The InChIKey is SZUBSPBGHSGOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2O2/c14-10-3-7(1-2-8(10)6-17)9-4-11(15)13(18)12(16)5-9/h1-6,18H.
What are the key properties of 2-chloro-4-(3,5-difluoro-4-hydroxyphenyl)benzaldehyde?
2-chloro-4-(3,5-difluoro-4-hydroxyphenyl)benzaldehyde has a molecular weight of 268.65 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,5-difluoro-4-hydroxyphenyl)benzaldehyde is sourced from PubChem (CID 58978552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).