4-(4-hydroxyphenyl)benzaldehyde

C13H10O2 — CID 2759299

IUPAC4-(4-hydroxyphenyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C13H10O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-9,15H
InChIKeyLUWJPGMZEAYDBA-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.87
Rot. Bonds2

About 4-(4-hydroxyphenyl)benzaldehyde

4-(4-hydroxyphenyl)benzaldehyde (PubChem CID 2759299) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)benzaldehyde.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)benzaldehyde
PubChem CID2759299
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name4-(4-hydroxyphenyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C13H10O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-9,15H
InChIKeyLUWJPGMZEAYDBA-UHFFFAOYSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.87
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-(4-hydroxyphenyl)benzaldehyde?
The IUPAC name of 4-(4-hydroxyphenyl)benzaldehyde (CID 2759299) is 4-(4-hydroxyphenyl)benzaldehyde.
What is the SMILES notation for 4-(4-hydroxyphenyl)benzaldehyde?
The canonical SMILES for 4-(4-hydroxyphenyl)benzaldehyde is O=Cc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)benzaldehyde?
The InChIKey is LUWJPGMZEAYDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-9,15H.
What are the key properties of 4-(4-hydroxyphenyl)benzaldehyde?
4-(4-hydroxyphenyl)benzaldehyde has a molecular weight of 198.22 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)benzaldehyde is sourced from PubChem (CID 2759299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).