2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde

C18H13NO4 — CID 882524

IUPAC2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12
InChIInChI=1S/C18H13NO4/c20-11-17-16-4-2-1-3-14(16)7-10-18(17)23-12-13-5-8-15(9-6-13)19(21)22/h1-11H,12H2
InChIKeySCYFBOAJMOUKTN-UHFFFAOYSA-N
MW307.31 g/mol
LogP4.14
Rot. Bonds5

About 2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde

2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde (PubChem CID 882524) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde
PubChem CID882524
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12
InChIInChI=1S/C18H13NO4/c20-11-17-16-4-2-1-3-14(16)7-10-18(17)23-12-13-5-8-15(9-6-13)19(21)22/h1-11H,12H2
InChIKeySCYFBOAJMOUKTN-UHFFFAOYSA-N
XLogP4.14
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

2,3,4,5,6-pentafluoro-N-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]aniline
CID 5182434
N-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126217476
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-nitroaniline
CID 110842100
(5E)-3-ethyl-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]imidazolidine-2,4-dione
CID 126181612
(1R,2S,6R,7R)-4-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 126412017
4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide
CID 134036287
3,4-bis[(4-nitrophenyl)methoxy]benzaldehyde
CID 50885590
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 4276527
(Z)-2-cyano-3-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 126236019
N-[(E)-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-propoxybenzamide
CID 133169847
(5E)-2-(4-ethoxyphenyl)imino-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]-1,3-thiazolidin-4-one
CID 137079444
5-amino-2-[(4-nitrophenyl)methoxy]benzaldehyde
CID 89035759

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde?
The IUPAC name of 2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde (CID 882524) is 2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde is O=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12.
What is the InChIKey of 2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde?
The InChIKey is SCYFBOAJMOUKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c20-11-17-16-4-2-1-3-14(16)7-10-18(17)23-12-13-5-8-15(9-6-13)19(21)22/h1-11H,12H2.
What are the key properties of 2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde?
2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde has a molecular weight of 307.31 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrophenyl)methoxy]naphthalene-1-carbaldehyde is sourced from PubChem (CID 882524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).