4-ethoxy-2-nitro-1-phenylbenzene

C14H13NO3 — CID 165358913

IUPAC4-ethoxy-2-nitro-1-phenylbenzene
SMILESCCOc1ccc(-c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13NO3/c1-2-18-12-8-9-13(14(10-12)15(16)17)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyRZKNYMSZXCSQLM-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.66
Rot. Bonds4

About 4-ethoxy-2-nitro-1-phenylbenzene

4-ethoxy-2-nitro-1-phenylbenzene (PubChem CID 165358913) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-ethoxy-2-nitro-1-phenylbenzene.

Molecular Properties

Compound Name4-ethoxy-2-nitro-1-phenylbenzene
PubChem CID165358913
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name4-ethoxy-2-nitro-1-phenylbenzene
SMILESCCOc1ccc(-c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13NO3/c1-2-18-12-8-9-13(14(10-12)15(16)17)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyRZKNYMSZXCSQLM-UHFFFAOYSA-N
XLogP3.66
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxy-2-nitro-1-phenylbenzene
CID 11401937
1-(3-ethoxyphenyl)-4-fluoro-2-nitrobenzene
CID 54506157
4-(2-nitro-4-phenylmethoxyphenyl)phenol
CID 66934266
2,4-diethoxy-1-phenylbenzene
CID 132889855
5-(4-ethoxy-2-nitrophenyl)furan-2-carboxylic acid
CID 56736978
4-tert-butyl-2-nitro-1-phenylbenzene
CID 12541280
4-(3-ethoxyphenyl)-2-nitrobenzoic acid
CID 53226326
4-ethoxy-1-iodo-2-phenylbenzene
CID 156900261
3-nitro-4-phenylaniline
CID 19386766
N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
4-ethoxy-2-nitrobenzenesulfonyl chloride
CID 12514471
4-ethoxy-2-nitro-1-prop-2-enylbenzene
CID 155580614

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-nitro-1-phenylbenzene?
The IUPAC name of 4-ethoxy-2-nitro-1-phenylbenzene (CID 165358913) is 4-ethoxy-2-nitro-1-phenylbenzene.
What is the SMILES notation for 4-ethoxy-2-nitro-1-phenylbenzene?
The canonical SMILES for 4-ethoxy-2-nitro-1-phenylbenzene is CCOc1ccc(-c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-ethoxy-2-nitro-1-phenylbenzene?
The InChIKey is RZKNYMSZXCSQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-2-18-12-8-9-13(14(10-12)15(16)17)11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of 4-ethoxy-2-nitro-1-phenylbenzene?
4-ethoxy-2-nitro-1-phenylbenzene has a molecular weight of 243.26 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-nitro-1-phenylbenzene is sourced from PubChem (CID 165358913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).