4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde

C13H10O3 — CID 115028639

IUPAC4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde
SMILESO=Cc1ccc(O)c(-c2cccc(O)c2)c1
InChIInChI=1S/C13H10O3/c14-8-9-4-5-13(16)12(6-9)10-2-1-3-11(15)7-10/h1-8,15-16H
InChIKeyQAEHAGRLOSIFRA-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.58
Rot. Bonds2

About 4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde

4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde (PubChem CID 115028639) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde
PubChem CID115028639
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde
SMILESO=Cc1ccc(O)c(-c2cccc(O)c2)c1
InChIInChI=1S/C13H10O3/c14-8-9-4-5-13(16)12(6-9)10-2-1-3-11(15)7-10/h1-8,15-16H
InChIKeyQAEHAGRLOSIFRA-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-(3-hydroxyphenyl)-4-methylbenzaldehyde
CID 39231630
3-(2-hydroxy-5-methylphenyl)benzaldehyde
CID 82039069
azulene-1,5-diol
CID 71327638
4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride
CID 23514495
3-hydroxy-4-phenylbenzaldehyde
CID 23143847
1-(3-hydroxyphenyl)isoquinoline-7-carbaldehyde
CID 169292309
3-hydroxybenzaldehyde;methoxymethane
CID 163225851
4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
CID 176967469
2-hydroxybenzaldehyde;3-hydroxybenzaldehyde
CID 19855746
4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 165416807
benzaldehyde;3,4-dihydroxybenzaldehyde
CID 160880582
3-(5-hydroxy-3-pyridinyl)benzaldehyde
CID 53217527

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde?
The IUPAC name of 4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde (CID 115028639) is 4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde.
What is the SMILES notation for 4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde?
The canonical SMILES for 4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde is O=Cc1ccc(O)c(-c2cccc(O)c2)c1.
What is the InChIKey of 4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde?
The InChIKey is QAEHAGRLOSIFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c14-8-9-4-5-13(16)12(6-9)10-2-1-3-11(15)7-10/h1-8,15-16H.
What are the key properties of 4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde?
4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde 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 4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde is sourced from PubChem (CID 115028639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).