ethane;1-ethyl-2-methoxy-3-(3-nitrosophenyl)benzene

C19H27NO2 — CID 143170064

IUPACethane;1-ethyl-2-methoxy-3-(3-nitrosophenyl)benzene
SMILESCC.CC.CCc1cccc(-c2cccc(N=O)c2)c1OC
InChIInChI=1S/C15H15NO2.2C2H6/c1-3-11-6-5-9-14(15(11)18-2)12-7-4-8-13(10-12)16-17;2*1-2/h4-10H,3H2,1-2H3;2*1-2H3
InChIKeyNNCJCYHFVSIGEX-UHFFFAOYSA-N
MW301.43 g/mol
LogP6.37
Rot. Bonds4

About ethane;1-ethyl-2-methoxy-3-(3-nitrosophenyl)benzene

ethane;1-ethyl-2-methoxy-3-(3-nitrosophenyl)benzene (PubChem CID 143170064) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is ethane;1-ethyl-2-methoxy-3-(3-nitrosophenyl)benzene.

Molecular Properties

Compound Nameethane;1-ethyl-2-methoxy-3-(3-nitrosophenyl)benzene
PubChem CID143170064
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Nameethane;1-ethyl-2-methoxy-3-(3-nitrosophenyl)benzene
SMILESCC.CC.CCc1cccc(-c2cccc(N=O)c2)c1OC
InChIInChI=1S/C15H15NO2.2C2H6/c1-3-11-6-5-9-14(15(11)18-2)12-7-4-8-13(10-12)16-17;2*1-2/h4-10H,3H2,1-2H3;2*1-2H3
InChIKeyNNCJCYHFVSIGEX-UHFFFAOYSA-N
XLogP6.37
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-methoxy-3-(3-nitrosophenyl)benzene
CID 143170065
2-(3-ethyl-2-methoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 118330551
5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117309562
1-(bromomethyl)-3-ethyl-2-methoxybenzene
CID 126971204
1-ethylnaphthalene;1-phenylnaphthalene
CID 173023243
2-(3-ethyl-2-methoxyphenyl)-5-fluoropyrimidine
CID 138713669
tert-butyl 2-(3-nitrosophenyl)benzoate
CID 11975217
2-(3-ethyl-2-methoxyphenyl)-5-methylpyrazine
CID 167101555
1-ethyl-3-phenyl-2-phenylmethoxybenzene
CID 123935467
2-methoxy-1,3-diphenylbenzene
CID 23524590
3-(3-ethyl-2-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 170278718
ethane;1-ethyl-2-methoxy-3-propoxybenzene
CID 143988437

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2-methoxy-3-(3-nitrosophenyl)benzene?
The IUPAC name of ethane;1-ethyl-2-methoxy-3-(3-nitrosophenyl)benzene (CID 143170064) is ethane;1-ethyl-2-methoxy-3-(3-nitrosophenyl)benzene.
What is the SMILES notation for ethane;1-ethyl-2-methoxy-3-(3-nitrosophenyl)benzene?
The canonical SMILES for ethane;1-ethyl-2-methoxy-3-(3-nitrosophenyl)benzene is CC.CC.CCc1cccc(-c2cccc(N=O)c2)c1OC.
What is the InChIKey of ethane;1-ethyl-2-methoxy-3-(3-nitrosophenyl)benzene?
The InChIKey is NNCJCYHFVSIGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2.2C2H6/c1-3-11-6-5-9-14(15(11)18-2)12-7-4-8-13(10-12)16-17;2*1-2/h4-10H,3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-ethyl-2-methoxy-3-(3-nitrosophenyl)benzene?
ethane;1-ethyl-2-methoxy-3-(3-nitrosophenyl)benzene has a molecular weight of 301.43 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2-methoxy-3-(3-nitrosophenyl)benzene is sourced from PubChem (CID 143170064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).