7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide

C16H11NO5 — CID 23730518

IUPAC7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C16H11NO5/c18-11-5-2-10(3-6-11)17-15(20)13-7-9-1-4-12(19)8-14(9)22-16(13)21/h1-8,18-19H,(H,17,20)
InChIKeyRYVLUQWFHSGWGY-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.46
Rot. Bonds2

About 7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide

7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide (PubChem CID 23730518) has the molecular formula C16H11NO5 and a molecular weight of 297.27 g/mol. Its IUPAC name is 7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide
PubChem CID23730518
Molecular FormulaC16H11NO5
Molecular Weight297.27 g/mol
Exact Mass297.06
IUPAC Name7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C16H11NO5/c18-11-5-2-10(3-6-11)17-15(20)13-7-9-1-4-12(19)8-14(9)22-16(13)21/h1-8,18-19H,(H,17,20)
InChIKeyRYVLUQWFHSGWGY-UHFFFAOYSA-N
XLogP2.46
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-7-hydroxy-2-oxochromene-3-carboxamide
CID 135121493
N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262383
3-(2-bromoacetyl)-7-hydroxychromen-2-one
CID 6157272
6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide
CID 1111853
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide
CID 5262694
2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
CID 51157990
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
3-acetyl-7-hydroxychromen-2-one;7-hydroxy-N-[(2S)-2-(methylamino)-3-oxobutyl]-2-oxochromene-3-carboxamide
CID 161031650
7-hydroxy-3-(2,3,4,5,6-pentafluorobenzoyl)chromen-2-one
CID 19074026

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide (CID 23730518) is 7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide is O=C(Nc1ccc(O)cc1)c1cc2ccc(O)cc2oc1=O.
What is the InChIKey of 7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is RYVLUQWFHSGWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO5/c18-11-5-2-10(3-6-11)17-15(20)13-7-9-1-4-12(19)8-14(9)22-16(13)21/h1-8,18-19H,(H,17,20).
What are the key properties of 7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide?
7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 297.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 23730518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).