1-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-phenylpropan-1-one

C16H15NO5 — CID 10924608

IUPAC1-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-phenylpropan-1-one
SMILESCOc1cc(C(=O)C(C)c2ccccc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H15NO5/c1-10(11-6-4-3-5-7-11)15(18)12-8-13(17(20)21)16(19)14(9-12)22-2/h3-10,19H,1-2H3
InChIKeyUPHRPEJBCFQOPG-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.30
Rot. Bonds5

About 1-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-phenylpropan-1-one

1-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-phenylpropan-1-one (PubChem CID 10924608) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-phenylpropan-1-one
PubChem CID10924608
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name1-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-phenylpropan-1-one
SMILESCOc1cc(C(=O)C(C)c2ccccc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C16H15NO5/c1-10(11-6-4-3-5-7-11)15(18)12-8-13(17(20)21)16(19)14(9-12)22-2/h3-10,19H,1-2H3
InChIKeyUPHRPEJBCFQOPG-UHFFFAOYSA-N
XLogP3.30
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-2-phenylpropan-1-one
CID 11045278
propan-2-yl 2-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-oxoacetate
CID 21458955
(4-hydroxy-3-methoxy-5-nitrophenyl)-(2-methylphenyl)methanone
CID 21458993
2-(4-hydroxy-3-methoxy-5-nitrobenzoyl)benzonitrile
CID 21459123
methyl 4-chloro-3-methoxy-5-nitrobenzoate;methyl 4-hydroxy-3-methoxy-5-nitrobenzoate
CID 159789127
(3,4-dimethoxy-5-nitrophenyl)-(2-fluorophenyl)methanone;(2-fluorophenyl)-(4-hydroxy-3-methoxy-5-nitrophenyl)methanone
CID 158356325
N'-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 135813876
2-(3,4-dimethoxy-5-nitrobenzoyl)propanedioic acid
CID 21459187
1-(3-methoxy-4-nitrophenyl)-2-methylpropan-1-one
CID 83969059
(2-chlorophenyl)-(4-hydroxy-3-methoxy-5-nitrophenyl)methanone;(3-nitrophenyl)-phenylmethanone
CID 159253921
[(3S)-3-amino-3-carboxypropyl]-dihydroxy-(4-hydroxy-3-methoxy-5-nitrobenzoyl)phosphanium
CID 90913770
(4-hydroxy-3-methoxy-5-nitrophenyl)-(4-methylphenyl)methanone;(4-hydroxy-3-methoxyphenyl)-(4-methylphenyl)methanone
CID 158639636

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-phenylpropan-1-one?
The IUPAC name of 1-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-phenylpropan-1-one (CID 10924608) is 1-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-phenylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-phenylpropan-1-one?
The canonical SMILES for 1-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-phenylpropan-1-one is COc1cc(C(=O)C(C)c2ccccc2)cc([N+](=O)[O-])c1O.
What is the InChIKey of 1-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-phenylpropan-1-one?
The InChIKey is UPHRPEJBCFQOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-10(11-6-4-3-5-7-11)15(18)12-8-13(17(20)21)16(19)14(9-12)22-2/h3-10,19H,1-2H3.
What are the key properties of 1-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-phenylpropan-1-one?
1-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-phenylpropan-1-one has a molecular weight of 301.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-phenylpropan-1-one is sourced from PubChem (CID 10924608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).