3,5-dihydroxy-4-phenylbenzaldehyde

C13H10O3 — CID 178159444

IUPAC3,5-dihydroxy-4-phenylbenzaldehyde
SMILESO=Cc1cc(O)c(-c2ccccc2)c(O)c1
InChIInChI=1S/C13H10O3/c14-8-9-6-11(15)13(12(16)7-9)10-4-2-1-3-5-10/h1-8,15-16H
InChIKeySEGUISHONLLBOL-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.58
Rot. Bonds2

About 3,5-dihydroxy-4-phenylbenzaldehyde

3,5-dihydroxy-4-phenylbenzaldehyde (PubChem CID 178159444) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3,5-dihydroxy-4-phenylbenzaldehyde.

Molecular Properties

Compound Name3,5-dihydroxy-4-phenylbenzaldehyde
PubChem CID178159444
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name3,5-dihydroxy-4-phenylbenzaldehyde
SMILESO=Cc1cc(O)c(-c2ccccc2)c(O)c1
InChIInChI=1S/C13H10O3/c14-8-9-6-11(15)13(12(16)7-9)10-4-2-1-3-5-10/h1-8,15-16H
InChIKeySEGUISHONLLBOL-UHFFFAOYSA-N
XLogP2.58
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-phenylbenzaldehyde
CID 23143847
3,5-dihydroxy-4-phenylbenzoic acid
CID 45116831
benzaldehyde;3,4-dihydroxybenzaldehyde
CID 160880582
4-hydroxynaphthalene-2-carbaldehyde
CID 22498210
3,4,5-trihydroxybenzaldehyde
CID 157253405
9,10-diphenylphenanthrene-3-carbaldehyde
CID 102277124
6-hydroxy-2,4-dimethyl-3-phenylbenzaldehyde
CID 45097937
3-chloro-4,5-dihydroxybenzaldehyde
CID 2468182
4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
CID 176967469
3-fluoro-5-phenylbenzaldehyde
CID 122475031
4-hydroxy-3,5-diphenoxybenzaldehyde
CID 101190258
3,4-dihydroxybenzaldehyde;N-methyl-1-phenylmethanamine
CID 175403126

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-4-phenylbenzaldehyde?
The IUPAC name of 3,5-dihydroxy-4-phenylbenzaldehyde (CID 178159444) is 3,5-dihydroxy-4-phenylbenzaldehyde.
What is the SMILES notation for 3,5-dihydroxy-4-phenylbenzaldehyde?
The canonical SMILES for 3,5-dihydroxy-4-phenylbenzaldehyde is O=Cc1cc(O)c(-c2ccccc2)c(O)c1.
What is the InChIKey of 3,5-dihydroxy-4-phenylbenzaldehyde?
The InChIKey is SEGUISHONLLBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c14-8-9-6-11(15)13(12(16)7-9)10-4-2-1-3-5-10/h1-8,15-16H.
What are the key properties of 3,5-dihydroxy-4-phenylbenzaldehyde?
3,5-dihydroxy-4-phenylbenzaldehyde has a molecular weight of 214.22 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-4-phenylbenzaldehyde is sourced from PubChem (CID 178159444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).