1-bromo-4-(1-nitroso-2-phenylethyl)benzene

C14H12BrNO — CID 90939513

IUPAC1-bromo-4-(1-nitroso-2-phenylethyl)benzene
SMILESO=NC(Cc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO/c15-13-8-6-12(7-9-13)14(16-17)10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKeyGHBHQBDCCQPDKA-UHFFFAOYSA-N
MW290.16 g/mol
LogP4.50
Rot. Bonds4

About 1-bromo-4-(1-nitroso-2-phenylethyl)benzene

1-bromo-4-(1-nitroso-2-phenylethyl)benzene (PubChem CID 90939513) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 1-bromo-4-(1-nitroso-2-phenylethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(1-nitroso-2-phenylethyl)benzene
PubChem CID90939513
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name1-bromo-4-(1-nitroso-2-phenylethyl)benzene
SMILESO=NC(Cc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO/c15-13-8-6-12(7-9-13)14(16-17)10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKeyGHBHQBDCCQPDKA-UHFFFAOYSA-N
XLogP4.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-(1-nitroso-2-phenylethyl)benzene
CID 91063046
2-(1-nitroso-2-phenylethyl)aniline
CID 90885129
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-2-amine
CID 81354706
[4-(1,2-diphenylethyl)phenyl]-nitrosomethanol
CID 145235495
1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene
CID 5083697
1-fluoro-4-(1-isocyanato-2-phenylethyl)benzene
CID 82044468
4-[3-(4-bromophenyl)-3-(2-methylphenyl)-1-nitrosopropyl]-2-methylpyridine
CID 91898731
3-(4-bromophenyl)-2-phenylpropan-1-amine
CID 65429656
1-bromo-4-(3-bromo-2-methyl-3-phenylpropyl)benzene
CID 113460202
2-(4-bromophenyl)-1-(1-phenylethylamino)ethanol
CID 91423309
(2S)-3-(4-bromophenyl)-2-methylpropanoic acid
CID 59063206
1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene
CID 11221951

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1-nitroso-2-phenylethyl)benzene?
The IUPAC name of 1-bromo-4-(1-nitroso-2-phenylethyl)benzene (CID 90939513) is 1-bromo-4-(1-nitroso-2-phenylethyl)benzene.
What is the SMILES notation for 1-bromo-4-(1-nitroso-2-phenylethyl)benzene?
The canonical SMILES for 1-bromo-4-(1-nitroso-2-phenylethyl)benzene is O=NC(Cc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(1-nitroso-2-phenylethyl)benzene?
The InChIKey is GHBHQBDCCQPDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c15-13-8-6-12(7-9-13)14(16-17)10-11-4-2-1-3-5-11/h1-9,14H,10H2.
What are the key properties of 1-bromo-4-(1-nitroso-2-phenylethyl)benzene?
1-bromo-4-(1-nitroso-2-phenylethyl)benzene has a molecular weight of 290.16 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1-nitroso-2-phenylethyl)benzene is sourced from PubChem (CID 90939513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).