3-[(2-nitrophenyl)methoxy]naphthalen-1-ol

C17H13NO4 — CID 70222536

IUPAC3-[(2-nitrophenyl)methoxy]naphthalen-1-ol
SMILESO=[N+]([O-])c1ccccc1COc1cc(O)c2ccccc2c1
InChIInChI=1S/C17H13NO4/c19-17-10-14(9-12-5-1-3-7-15(12)17)22-11-13-6-2-4-8-16(13)18(20)21/h1-10,19H,11H2
InChIKeyULEBCSCPSFTBTM-UHFFFAOYSA-N
MW295.29 g/mol
LogP4.03
Rot. Bonds4

About 3-[(2-nitrophenyl)methoxy]naphthalen-1-ol

3-[(2-nitrophenyl)methoxy]naphthalen-1-ol (PubChem CID 70222536) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 3-[(2-nitrophenyl)methoxy]naphthalen-1-ol.

Molecular Properties

Compound Name3-[(2-nitrophenyl)methoxy]naphthalen-1-ol
PubChem CID70222536
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name3-[(2-nitrophenyl)methoxy]naphthalen-1-ol
SMILESO=[N+]([O-])c1ccccc1COc1cc(O)c2ccccc2c1
InChIInChI=1S/C17H13NO4/c19-17-10-14(9-12-5-1-3-7-15(12)17)22-11-13-6-2-4-8-16(13)18(20)21/h1-10,19H,11H2
InChIKeyULEBCSCPSFTBTM-UHFFFAOYSA-N
XLogP4.03
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene
CID 60627121
methyl 4-[(2-nitrophenyl)methoxy]benzoate
CID 26218557
3-(iodomethoxy)-1-nitronaphthalene
CID 89486943
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
4-[(2-nitrophenyl)methoxy]benzonitrile
CID 24702711
(2-nitrophenyl)methyl naphthalene-1-carboxylate
CID 4572796
[3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol
CID 61391476
(1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 63367375
4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde
CID 158803973
(1R)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 78937008
N-methyl-4-[(2-nitrophenyl)methoxy]aniline
CID 61027197
1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene
CID 82727180

Frequently Asked Questions

What is the IUPAC name of 3-[(2-nitrophenyl)methoxy]naphthalen-1-ol?
The IUPAC name of 3-[(2-nitrophenyl)methoxy]naphthalen-1-ol (CID 70222536) is 3-[(2-nitrophenyl)methoxy]naphthalen-1-ol.
What is the SMILES notation for 3-[(2-nitrophenyl)methoxy]naphthalen-1-ol?
The canonical SMILES for 3-[(2-nitrophenyl)methoxy]naphthalen-1-ol is O=[N+]([O-])c1ccccc1COc1cc(O)c2ccccc2c1.
What is the InChIKey of 3-[(2-nitrophenyl)methoxy]naphthalen-1-ol?
The InChIKey is ULEBCSCPSFTBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c19-17-10-14(9-12-5-1-3-7-15(12)17)22-11-13-6-2-4-8-16(13)18(20)21/h1-10,19H,11H2.
What are the key properties of 3-[(2-nitrophenyl)methoxy]naphthalen-1-ol?
3-[(2-nitrophenyl)methoxy]naphthalen-1-ol has a molecular weight of 295.29 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-nitrophenyl)methoxy]naphthalen-1-ol is sourced from PubChem (CID 70222536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).