4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde

C13H8F2O2 — CID 53220375

IUPAC4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde
SMILESO=Cc1ccc(-c2ccc(F)c(F)c2)cc1O
InChIInChI=1S/C13H8F2O2/c14-11-4-3-8(5-12(11)15)9-1-2-10(7-16)13(17)6-9/h1-7,17H
InChIKeyUGLUZVFDMOPUSK-UHFFFAOYSA-N
MW234.20 g/mol
LogP3.15
Rot. Bonds2

About 4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde

4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde (PubChem CID 53220375) has the molecular formula C13H8F2O2 and a molecular weight of 234.20 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde
PubChem CID53220375
Molecular FormulaC13H8F2O2
Molecular Weight234.20 g/mol
Exact Mass234.05
IUPAC Name4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde
SMILESO=Cc1ccc(-c2ccc(F)c(F)c2)cc1O
InChIInChI=1S/C13H8F2O2/c14-11-4-3-8(5-12(11)15)9-1-2-10(7-16)13(17)6-9/h1-7,17H
InChIKeyUGLUZVFDMOPUSK-UHFFFAOYSA-N
XLogP3.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 53.15
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 4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde?
The IUPAC name of 4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde (CID 53220375) is 4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde?
The canonical SMILES for 4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde is O=Cc1ccc(-c2ccc(F)c(F)c2)cc1O.
What is the InChIKey of 4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde?
The InChIKey is UGLUZVFDMOPUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2O2/c14-11-4-3-8(5-12(11)15)9-1-2-10(7-16)13(17)6-9/h1-7,17H.
What are the key properties of 4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde?
4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde has a molecular weight of 234.20 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde is sourced from PubChem (CID 53220375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).