2-bromo-4-nitroso-1-phenylmethoxybenzene

C13H10BrNO2 — CID 130451234

IUPAC2-bromo-4-nitroso-1-phenylmethoxybenzene
SMILESO=Nc1ccc(OCc2ccccc2)c(Br)c1
InChIInChI=1S/C13H10BrNO2/c14-12-8-11(15-16)6-7-13(12)17-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeySBKYFNULFAKBRG-UHFFFAOYSA-N
MW292.13 g/mol
LogP4.43
Rot. Bonds4

About 2-bromo-4-nitroso-1-phenylmethoxybenzene

2-bromo-4-nitroso-1-phenylmethoxybenzene (PubChem CID 130451234) has the molecular formula C13H10BrNO2 and a molecular weight of 292.13 g/mol. Its IUPAC name is 2-bromo-4-nitroso-1-phenylmethoxybenzene.

Molecular Properties

Compound Name2-bromo-4-nitroso-1-phenylmethoxybenzene
PubChem CID130451234
Molecular FormulaC13H10BrNO2
Molecular Weight292.13 g/mol
Exact Mass290.99
IUPAC Name2-bromo-4-nitroso-1-phenylmethoxybenzene
SMILESO=Nc1ccc(OCc2ccccc2)c(Br)c1
InChIInChI=1S/C13H10BrNO2/c14-12-8-11(15-16)6-7-13(12)17-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeySBKYFNULFAKBRG-UHFFFAOYSA-N
XLogP4.43
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126210174
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine
CID 117493046
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride
CID 17156869
3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170
1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one
CID 177405954
methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814
ethyl 3-bromo-4-phenylmethoxybenzoate
CID 54793242
(3R)-3-amino-3-(3-bromo-4-phenylmethoxyphenyl)propanoic acid
CID 7022682
2-bromo-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 3834787
2-[4-[(2-bromo-4-phenylphenoxy)methyl]phenyl]acetic acid
CID 22682634
4-[[(3-bromo-4-phenylmethoxyphenyl)methylamino]methyl]benzoic acid
CID 17158211

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-nitroso-1-phenylmethoxybenzene?
The IUPAC name of 2-bromo-4-nitroso-1-phenylmethoxybenzene (CID 130451234) is 2-bromo-4-nitroso-1-phenylmethoxybenzene.
What is the SMILES notation for 2-bromo-4-nitroso-1-phenylmethoxybenzene?
The canonical SMILES for 2-bromo-4-nitroso-1-phenylmethoxybenzene is O=Nc1ccc(OCc2ccccc2)c(Br)c1.
What is the InChIKey of 2-bromo-4-nitroso-1-phenylmethoxybenzene?
The InChIKey is SBKYFNULFAKBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO2/c14-12-8-11(15-16)6-7-13(12)17-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 2-bromo-4-nitroso-1-phenylmethoxybenzene?
2-bromo-4-nitroso-1-phenylmethoxybenzene has a molecular weight of 292.13 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-nitroso-1-phenylmethoxybenzene is sourced from PubChem (CID 130451234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).