7-methoxy-8-[(4-nitrophenyl)methoxy]naphthalen-2-ol

C18H15NO5 — CID 71568732

IUPAC7-methoxy-8-[(4-nitrophenyl)methoxy]naphthalen-2-ol
SMILESCOc1ccc2ccc(O)cc2c1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H15NO5/c1-23-17-9-5-13-4-8-15(20)10-16(13)18(17)24-11-12-2-6-14(7-3-12)19(21)22/h2-10,20H,11H2,1H3
InChIKeyLZRLDIVBXNILAS-UHFFFAOYSA-N
MW325.32 g/mol
LogP4.04
Rot. Bonds5

About 7-methoxy-8-[(4-nitrophenyl)methoxy]naphthalen-2-ol

7-methoxy-8-[(4-nitrophenyl)methoxy]naphthalen-2-ol (PubChem CID 71568732) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 7-methoxy-8-[(4-nitrophenyl)methoxy]naphthalen-2-ol.

Molecular Properties

Compound Name7-methoxy-8-[(4-nitrophenyl)methoxy]naphthalen-2-ol
PubChem CID71568732
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name7-methoxy-8-[(4-nitrophenyl)methoxy]naphthalen-2-ol
SMILESCOc1ccc2ccc(O)cc2c1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H15NO5/c1-23-17-9-5-13-4-8-15(20)10-16(13)18(17)24-11-12-2-6-14(7-3-12)19(21)22/h2-10,20H,11H2,1H3
InChIKeyLZRLDIVBXNILAS-UHFFFAOYSA-N
XLogP4.04
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 54.04
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

4-[(4-nitrophenyl)methoxy]benzene-1,3-diol
CID 139941851
1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene
CID 7707175
2-[[6-bromo-3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]methylamino]ethanol
CID 66536345
[2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol
CID 28964238
(NE)-N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898086
(4-nitrophenyl)methyl 2,4-dimethoxy-6-[(4-nitrophenyl)methoxy]benzoate
CID 162354063
5-(bromomethyl)-1,3-dimethyl-2-[(4-nitrophenyl)methoxy]benzene
CID 43324538
2-[[6-bromo-3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]methylamino]acetic acid
CID 66536320
2-[[6-bromo-3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol
CID 66536346
2-[(4-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 28880484
2-[[4-methoxy-3-[(4-nitrophenyl)methoxy]phenyl]methylidene]propanedinitrile
CID 9185113
(4-nitrophenyl)methyl 3-methoxy-4-phenylmethoxybenzoate
CID 2454256

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-8-[(4-nitrophenyl)methoxy]naphthalen-2-ol?
The IUPAC name of 7-methoxy-8-[(4-nitrophenyl)methoxy]naphthalen-2-ol (CID 71568732) is 7-methoxy-8-[(4-nitrophenyl)methoxy]naphthalen-2-ol.
What is the SMILES notation for 7-methoxy-8-[(4-nitrophenyl)methoxy]naphthalen-2-ol?
The canonical SMILES for 7-methoxy-8-[(4-nitrophenyl)methoxy]naphthalen-2-ol is COc1ccc2ccc(O)cc2c1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 7-methoxy-8-[(4-nitrophenyl)methoxy]naphthalen-2-ol?
The InChIKey is LZRLDIVBXNILAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-23-17-9-5-13-4-8-15(20)10-16(13)18(17)24-11-12-2-6-14(7-3-12)19(21)22/h2-10,20H,11H2,1H3.
What are the key properties of 7-methoxy-8-[(4-nitrophenyl)methoxy]naphthalen-2-ol?
7-methoxy-8-[(4-nitrophenyl)methoxy]naphthalen-2-ol has a molecular weight of 325.32 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-8-[(4-nitrophenyl)methoxy]naphthalen-2-ol is sourced from PubChem (CID 71568732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).