3-hydroxy-4-phenylbenzaldehyde

C13H10O2 — CID 23143847

IUPAC3-hydroxy-4-phenylbenzaldehyde
SMILESO=Cc1ccc(-c2ccccc2)c(O)c1
InChIInChI=1S/C13H10O2/c14-9-10-6-7-12(13(15)8-10)11-4-2-1-3-5-11/h1-9,15H
InChIKeyCMAGWBBFEQNINS-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.87
Rot. Bonds2

About 3-hydroxy-4-phenylbenzaldehyde

3-hydroxy-4-phenylbenzaldehyde (PubChem CID 23143847) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-hydroxy-4-phenylbenzaldehyde.

Molecular Properties

Compound Name3-hydroxy-4-phenylbenzaldehyde
PubChem CID23143847
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name3-hydroxy-4-phenylbenzaldehyde
SMILESO=Cc1ccc(-c2ccccc2)c(O)c1
InChIInChI=1S/C13H10O2/c14-9-10-6-7-12(13(15)8-10)11-4-2-1-3-5-11/h1-9,15H
InChIKeyCMAGWBBFEQNINS-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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Related Compounds

4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
CID 176967469
3,4-bis(2-phenylphenyl)benzaldehyde
CID 141272209
4-phenyl-3-phosphanylbenzaldehyde
CID 118281637
benzaldehyde;3,4-dihydroxybenzaldehyde
CID 160880582
3,5-dihydroxy-4-phenylbenzaldehyde
CID 178159444
formaldehyde;4-phenylbenzene-1,3-diol
CID 174408267
4-phenyl-3-propan-2-yloxybenzaldehyde
CID 91131108
4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde
CID 115028639
3-phenyl-4-(trifluoromethyl)benzaldehyde
CID 46314974
6-(4-phenylphenyl)naphthalene-2-carbaldehyde
CID 59801235
oxalic acid;2-phenylphenol
CID 162319962
5-hydroxy-4-phenylpyridine-2-carbaldehyde
CID 131602436

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-phenylbenzaldehyde?
The IUPAC name of 3-hydroxy-4-phenylbenzaldehyde (CID 23143847) is 3-hydroxy-4-phenylbenzaldehyde.
What is the SMILES notation for 3-hydroxy-4-phenylbenzaldehyde?
The canonical SMILES for 3-hydroxy-4-phenylbenzaldehyde is O=Cc1ccc(-c2ccccc2)c(O)c1.
What is the InChIKey of 3-hydroxy-4-phenylbenzaldehyde?
The InChIKey is CMAGWBBFEQNINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-9-10-6-7-12(13(15)8-10)11-4-2-1-3-5-11/h1-9,15H.
What are the key properties of 3-hydroxy-4-phenylbenzaldehyde?
3-hydroxy-4-phenylbenzaldehyde 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 3-hydroxy-4-phenylbenzaldehyde is sourced from PubChem (CID 23143847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).