1-(2-hydroxy-5-nitrophenyl)-3-naphthalen-2-ylprop-2-en-1-one

C19H13NO4 — CID 71325793

IUPAC1-(2-hydroxy-5-nitrophenyl)-3-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc2ccccc2c1)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C19H13NO4/c21-18(17-12-16(20(23)24)8-10-19(17)22)9-6-13-5-7-14-3-1-2-4-15(14)11-13/h1-12,22H
InChIKeyMAAMBJYGDSRKGO-UHFFFAOYSA-N
MW319.32 g/mol
LogP4.35
Rot. Bonds4

About 1-(2-hydroxy-5-nitrophenyl)-3-naphthalen-2-ylprop-2-en-1-one

1-(2-hydroxy-5-nitrophenyl)-3-naphthalen-2-ylprop-2-en-1-one (PubChem CID 71325793) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 1-(2-hydroxy-5-nitrophenyl)-3-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-(2-hydroxy-5-nitrophenyl)-3-naphthalen-2-ylprop-2-en-1-one
PubChem CID71325793
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name1-(2-hydroxy-5-nitrophenyl)-3-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc2ccccc2c1)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C19H13NO4/c21-18(17-12-16(20(23)24)8-10-19(17)22)9-6-13-5-7-14-3-1-2-4-15(14)11-13/h1-12,22H
InChIKeyMAAMBJYGDSRKGO-UHFFFAOYSA-N
XLogP4.35
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-chlorophenyl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one
CID 6081182
(Z)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 92965064
(E)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 6305667
(E)-1-(2-hydroxy-5-nitrophenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one
CID 18782955
3-[4-hydroxy-3-(3-phenylprop-2-enoyl)phenyl]prop-2-enoic acid
CID 54370841
1-(2-aminophenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 72956833
1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one
CID 140808569
2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene
CID 9036194
2-[3-(4-nitrophenyl)prop-2-enoyl]benzo[f]chromen-3-one
CID 71334579
(E)-1-(2-bromo-5-nitrophenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 141235888
3-[(E)-3-(3-nitrophenyl)prop-2-enoyl]chromen-2-one
CID 6010921
(E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 89077412

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-nitrophenyl)-3-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of 1-(2-hydroxy-5-nitrophenyl)-3-naphthalen-2-ylprop-2-en-1-one (CID 71325793) is 1-(2-hydroxy-5-nitrophenyl)-3-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for 1-(2-hydroxy-5-nitrophenyl)-3-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for 1-(2-hydroxy-5-nitrophenyl)-3-naphthalen-2-ylprop-2-en-1-one is O=C(C=Cc1ccc2ccccc2c1)c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 1-(2-hydroxy-5-nitrophenyl)-3-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is MAAMBJYGDSRKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c21-18(17-12-16(20(23)24)8-10-19(17)22)9-6-13-5-7-14-3-1-2-4-15(14)11-13/h1-12,22H.
What are the key properties of 1-(2-hydroxy-5-nitrophenyl)-3-naphthalen-2-ylprop-2-en-1-one?
1-(2-hydroxy-5-nitrophenyl)-3-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 319.32 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-nitrophenyl)-3-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 71325793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).