2-hydroxy-5-(6-hydroxynaphthalen-2-yl)benzaldehyde

C17H12O3 — CID 118712396

IUPAC2-hydroxy-5-(6-hydroxynaphthalen-2-yl)benzaldehyde
SMILESO=Cc1cc(-c2ccc3cc(O)ccc3c2)ccc1O
InChIInChI=1S/C17H12O3/c18-10-15-8-13(4-6-17(15)20)11-1-2-14-9-16(19)5-3-12(14)7-11/h1-10,19-20H
InChIKeyPVKYWIHLMGRDQA-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.73
Rot. Bonds2

About 2-hydroxy-5-(6-hydroxynaphthalen-2-yl)benzaldehyde

2-hydroxy-5-(6-hydroxynaphthalen-2-yl)benzaldehyde (PubChem CID 118712396) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-hydroxy-5-(6-hydroxynaphthalen-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-(6-hydroxynaphthalen-2-yl)benzaldehyde
PubChem CID118712396
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name2-hydroxy-5-(6-hydroxynaphthalen-2-yl)benzaldehyde
SMILESO=Cc1cc(-c2ccc3cc(O)ccc3c2)ccc1O
InChIInChI=1S/C17H12O3/c18-10-15-8-13(4-6-17(15)20)11-1-2-14-9-16(19)5-3-12(14)7-11/h1-10,19-20H
InChIKeyPVKYWIHLMGRDQA-UHFFFAOYSA-N
XLogP3.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.73
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

Chrysophanol
CID 10208
Gossypol
CID 3503
1,8-Dihydroxyanthraquinone
CID 2950
Anthralin
CID 2202
Quinizarin
CID 6688
Aloe emodin
CID 10207
3-Hydroxy-2-naphthoic acid
CID 7104
1-Hydroxyanthraquinone
CID 8512
Lucidin
CID 10163
Pamoic Acid
CID 8546
Chrysophanic acid-9-anthrone
CID 68111
Anthrarufin
CID 8328

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(6-hydroxynaphthalen-2-yl)benzaldehyde?
The IUPAC name of 2-hydroxy-5-(6-hydroxynaphthalen-2-yl)benzaldehyde (CID 118712396) is 2-hydroxy-5-(6-hydroxynaphthalen-2-yl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-(6-hydroxynaphthalen-2-yl)benzaldehyde?
The canonical SMILES for 2-hydroxy-5-(6-hydroxynaphthalen-2-yl)benzaldehyde is O=Cc1cc(-c2ccc3cc(O)ccc3c2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(6-hydroxynaphthalen-2-yl)benzaldehyde?
The InChIKey is PVKYWIHLMGRDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c18-10-15-8-13(4-6-17(15)20)11-1-2-14-9-16(19)5-3-12(14)7-11/h1-10,19-20H.
What are the key properties of 2-hydroxy-5-(6-hydroxynaphthalen-2-yl)benzaldehyde?
2-hydroxy-5-(6-hydroxynaphthalen-2-yl)benzaldehyde has a molecular weight of 264.28 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(6-hydroxynaphthalen-2-yl)benzaldehyde is sourced from PubChem (CID 118712396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).