2-(3-aminophenyl)-5-hydroxybenzaldehyde

C13H11NO2 — CID 163758907

IUPAC2-(3-aminophenyl)-5-hydroxybenzaldehyde
SMILESNc1cccc(-c2ccc(O)cc2C=O)c1
InChIInChI=1S/C13H11NO2/c14-11-3-1-2-9(6-11)13-5-4-12(16)7-10(13)8-15/h1-8,16H,14H2
InChIKeyLWLZWIBGVRRIQD-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.45
Rot. Bonds2

About 2-(3-aminophenyl)-5-hydroxybenzaldehyde

2-(3-aminophenyl)-5-hydroxybenzaldehyde (PubChem CID 163758907) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(3-aminophenyl)-5-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-(3-aminophenyl)-5-hydroxybenzaldehyde
PubChem CID163758907
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name2-(3-aminophenyl)-5-hydroxybenzaldehyde
SMILESNc1cccc(-c2ccc(O)cc2C=O)c1
InChIInChI=1S/C13H11NO2/c14-11-3-1-2-9(6-11)13-5-4-12(16)7-10(13)8-15/h1-8,16H,14H2
InChIKeyLWLZWIBGVRRIQD-UHFFFAOYSA-N
XLogP2.45
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(3-aminophenyl)phenol;hydrochloride
CID 22023366
3-[2,3-bis(3-aminophenyl)phenyl]phenol
CID 139931818
3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline
CID 18003218
4-[3-(2,4-dihydroxyphenyl)phenyl]benzene-1,3-diol
CID 153306376
3-aminobenzaldehyde;naphthalen-2-ol
CID 175504039
2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde
CID 175471509
3-(3-aminophenyl)aniline;sulfane
CID 175159845
ethane;4-hydroxyphthalaldehyde
CID 90973394
2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde
CID 115028666
7-(3-aminophenyl)bicyclo[4.2.0]octa-1(6),2,4,7-tetraene-3-carbaldehyde
CID 88608771
4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride
CID 23514495
3-aminophenol;molecular nitrogen
CID 174840874

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-5-hydroxybenzaldehyde?
The IUPAC name of 2-(3-aminophenyl)-5-hydroxybenzaldehyde (CID 163758907) is 2-(3-aminophenyl)-5-hydroxybenzaldehyde.
What is the SMILES notation for 2-(3-aminophenyl)-5-hydroxybenzaldehyde?
The canonical SMILES for 2-(3-aminophenyl)-5-hydroxybenzaldehyde is Nc1cccc(-c2ccc(O)cc2C=O)c1.
What is the InChIKey of 2-(3-aminophenyl)-5-hydroxybenzaldehyde?
The InChIKey is LWLZWIBGVRRIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c14-11-3-1-2-9(6-11)13-5-4-12(16)7-10(13)8-15/h1-8,16H,14H2.
What are the key properties of 2-(3-aminophenyl)-5-hydroxybenzaldehyde?
2-(3-aminophenyl)-5-hydroxybenzaldehyde has a molecular weight of 213.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-5-hydroxybenzaldehyde is sourced from PubChem (CID 163758907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).