1-[2-hydroxy-5-(6-methoxynaphthalen-2-yl)-3-nitrophenyl]ethanone

C19H15NO5 — CID 118713066

IUPAC1-[2-hydroxy-5-(6-methoxynaphthalen-2-yl)-3-nitrophenyl]ethanone
SMILESCOc1ccc2cc(-c3cc(C(C)=O)c(O)c([N+](=O)[O-])c3)ccc2c1
InChIInChI=1S/C19H15NO5/c1-11(21)17-9-15(10-18(19(17)22)20(23)24)13-3-4-14-8-16(25-2)6-5-12(14)7-13/h3-10,22H,1-2H3
InChIKeyLRSKAWWXZFDBDK-UHFFFAOYSA-N
MW337.33 g/mol
LogP4.33
Rot. Bonds4

About 1-[2-hydroxy-5-(6-methoxynaphthalen-2-yl)-3-nitrophenyl]ethanone

1-[2-hydroxy-5-(6-methoxynaphthalen-2-yl)-3-nitrophenyl]ethanone (PubChem CID 118713066) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 1-[2-hydroxy-5-(6-methoxynaphthalen-2-yl)-3-nitrophenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-5-(6-methoxynaphthalen-2-yl)-3-nitrophenyl]ethanone
PubChem CID118713066
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name1-[2-hydroxy-5-(6-methoxynaphthalen-2-yl)-3-nitrophenyl]ethanone
SMILESCOc1ccc2cc(-c3cc(C(C)=O)c(O)c([N+](=O)[O-])c3)ccc2c1
InChIInChI=1S/C19H15NO5/c1-11(21)17-9-15(10-18(19(17)22)20(23)24)13-3-4-14-8-16(25-2)6-5-12(14)7-13/h3-10,22H,1-2H3
InChIKeyLRSKAWWXZFDBDK-UHFFFAOYSA-N
XLogP4.33
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 54.33
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-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
CID 91415101
1-(2-hydroxy-5-iodo-3-nitrophenyl)ethanone
CID 171026093
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
[3-(6-methoxynaphthalen-2-yl)phenyl] acetate
CID 57307184
ethane;5-methoxy-2-nitrophenol
CID 143133372
4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene
CID 53341761
bis[2-(4-fluoro-3-nitrophenyl)-4-methoxyphenyl]methanone
CID 141011357
1-[5-(chloromethyl)-2-hydroxy-3-nitrophenyl]ethanone
CID 71375100
5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
1-[5-methoxy-3-nitro-2-(trifluoromethyl)phenyl]ethanone
CID 171026031
4-(4-aminophenyl)-2-methoxy-6-nitrophenol
CID 116987628
(5-methoxy-2-nitrophenyl)methyl acetate
CID 70659279

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-5-(6-methoxynaphthalen-2-yl)-3-nitrophenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-5-(6-methoxynaphthalen-2-yl)-3-nitrophenyl]ethanone (CID 118713066) is 1-[2-hydroxy-5-(6-methoxynaphthalen-2-yl)-3-nitrophenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-5-(6-methoxynaphthalen-2-yl)-3-nitrophenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-5-(6-methoxynaphthalen-2-yl)-3-nitrophenyl]ethanone is COc1ccc2cc(-c3cc(C(C)=O)c(O)c([N+](=O)[O-])c3)ccc2c1.
What is the InChIKey of 1-[2-hydroxy-5-(6-methoxynaphthalen-2-yl)-3-nitrophenyl]ethanone?
The InChIKey is LRSKAWWXZFDBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c1-11(21)17-9-15(10-18(19(17)22)20(23)24)13-3-4-14-8-16(25-2)6-5-12(14)7-13/h3-10,22H,1-2H3.
What are the key properties of 1-[2-hydroxy-5-(6-methoxynaphthalen-2-yl)-3-nitrophenyl]ethanone?
1-[2-hydroxy-5-(6-methoxynaphthalen-2-yl)-3-nitrophenyl]ethanone has a molecular weight of 337.33 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-5-(6-methoxynaphthalen-2-yl)-3-nitrophenyl]ethanone is sourced from PubChem (CID 118713066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).