1,4-bis[nitroso(phenyl)methyl]benzene

C20H16N2O2 — CID 54419533

IUPAC1,4-bis[nitroso(phenyl)methyl]benzene
SMILESO=NC(c1ccccc1)c1ccc(C(N=O)c2ccccc2)cc1
InChIInChI=1S/C20H16N2O2/c23-21-19(15-7-3-1-4-8-15)17-11-13-18(14-12-17)20(22-24)16-9-5-2-6-10-16/h1-14,19-20H
InChIKeyVZUPXRSQZAUMRI-UHFFFAOYSA-N
MW316.36 g/mol
LogP5.40
Rot. Bonds6

About 1,4-bis[nitroso(phenyl)methyl]benzene

1,4-bis[nitroso(phenyl)methyl]benzene (PubChem CID 54419533) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1,4-bis[nitroso(phenyl)methyl]benzene.

Molecular Properties

Compound Name1,4-bis[nitroso(phenyl)methyl]benzene
PubChem CID54419533
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name1,4-bis[nitroso(phenyl)methyl]benzene
SMILESO=NC(c1ccccc1)c1ccc(C(N=O)c2ccccc2)cc1
InChIInChI=1S/C20H16N2O2/c23-21-19(15-7-3-1-4-8-15)17-11-13-18(14-12-17)20(22-24)16-9-5-2-6-10-16/h1-14,19-20H
InChIKeyVZUPXRSQZAUMRI-UHFFFAOYSA-N
XLogP5.40
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.36
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone
CID 95049071
[chloro(nitroso)methyl]benzene
CID 54497222
1-nitro-2-[nitroso(phenyl)methyl]benzene
CID 57068821
[4-(1,2-diphenylethyl)phenyl]-nitrosomethanol
CID 145235495
N-benzhydrylmethanimine
CID 164737969
dichloromethylbenzene;nitrous acid
CID 175092421
N'-hydroxy-2-nitroso-2-phenylethanimidamide
CID 123575008
N-[1-[4-[1-(hydroxyamino)-3-nitroso-3-phenylpropyl]phenyl]-3-nitroso-3-phenylpropyl]hydroxylamine
CID 91289866
N,N'-bis[4-[isocyanato(phenyl)methyl]phenyl]methanediimine
CID 118002518
imino-[phenyl-(4-phenylphenyl)methyl]iminoazanium
CID 6331969
2-phenylpropanedioic acid;dihydrochloride
CID 68766431
phenyl-[4-[phenyl(sulfanyl)methyl]phenyl]methanethiol
CID 10403885

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[nitroso(phenyl)methyl]benzene?
The IUPAC name of 1,4-bis[nitroso(phenyl)methyl]benzene (CID 54419533) is 1,4-bis[nitroso(phenyl)methyl]benzene.
What is the SMILES notation for 1,4-bis[nitroso(phenyl)methyl]benzene?
The canonical SMILES for 1,4-bis[nitroso(phenyl)methyl]benzene is O=NC(c1ccccc1)c1ccc(C(N=O)c2ccccc2)cc1.
What is the InChIKey of 1,4-bis[nitroso(phenyl)methyl]benzene?
The InChIKey is VZUPXRSQZAUMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-21-19(15-7-3-1-4-8-15)17-11-13-18(14-12-17)20(22-24)16-9-5-2-6-10-16/h1-14,19-20H.
What are the key properties of 1,4-bis[nitroso(phenyl)methyl]benzene?
1,4-bis[nitroso(phenyl)methyl]benzene has a molecular weight of 316.36 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[nitroso(phenyl)methyl]benzene is sourced from PubChem (CID 54419533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).