5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde

C16H10O5 — CID 134156790

IUPAC5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde
SMILESO=Cc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C16H10O5/c17-8-10-11(18)6-14-15(16(10)20)12(19)7-13(21-14)9-4-2-1-3-5-9/h1-8,18,20H
InChIKeyNKXVDFRQVDRYOO-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.68
Rot. Bonds2

About 5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde

5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde (PubChem CID 134156790) has the molecular formula C16H10O5 and a molecular weight of 282.25 g/mol. Its IUPAC name is 5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde.

Molecular Properties

Compound Name5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde
PubChem CID134156790
Molecular FormulaC16H10O5
Molecular Weight282.25 g/mol
Exact Mass282.05
IUPAC Name5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde
SMILESO=Cc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C16H10O5/c17-8-10-11(18)6-14-15(16(10)20)12(19)7-13(21-14)9-4-2-1-3-5-9/h1-8,18,20H
InChIKeyNKXVDFRQVDRYOO-UHFFFAOYSA-N
XLogP2.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,7-dihydroxy-6-[(E)-3-methylbut-1-enyl]-2-phenylchromen-4-one
CID 167993314
sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174885991
formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)
CID 175123321
6-amino-5,7-dihydroxy-2-phenylchromen-4-one
CID 11242643
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
diphenyldiazene;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174845080
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813
CID 172853606
CID 172853606
ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one
CID 145053465
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707
5,7-dihydroxy-6-(hydroxymethyl)-2-phenylchromen-4-one;5,7-dihydroxy-2-phenylchromen-4-one;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 159238028
5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 69450862

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde?
The IUPAC name of 5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde (CID 134156790) is 5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde.
What is the SMILES notation for 5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde?
The canonical SMILES for 5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde is O=Cc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O.
What is the InChIKey of 5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde?
The InChIKey is NKXVDFRQVDRYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O5/c17-8-10-11(18)6-14-15(16(10)20)12(19)7-13(21-14)9-4-2-1-3-5-9/h1-8,18,20H.
What are the key properties of 5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde?
5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde has a molecular weight of 282.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-4-oxo-2-phenylchromene-6-carbaldehyde is sourced from PubChem (CID 134156790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).