1,5-dibromo-3-methoxy-2-(1-nitrosoethyl)benzene

C9H9Br2NO2 — CID 123542330

IUPAC1,5-dibromo-3-methoxy-2-(1-nitrosoethyl)benzene
SMILESCOc1cc(Br)cc(Br)c1C(C)N=O
InChIInChI=1S/C9H9Br2NO2/c1-5(12-13)9-7(11)3-6(10)4-8(9)14-2/h3-5H,1-2H3
InChIKeyQUONIAHTHAPGLP-UHFFFAOYSA-N
MW322.98 g/mol
LogP4.05
Rot. Bonds3

About 1,5-dibromo-3-methoxy-2-(1-nitrosoethyl)benzene

1,5-dibromo-3-methoxy-2-(1-nitrosoethyl)benzene (PubChem CID 123542330) has the molecular formula C9H9Br2NO2 and a molecular weight of 322.98 g/mol. Its IUPAC name is 1,5-dibromo-3-methoxy-2-(1-nitrosoethyl)benzene.

Molecular Properties

Compound Name1,5-dibromo-3-methoxy-2-(1-nitrosoethyl)benzene
PubChem CID123542330
Molecular FormulaC9H9Br2NO2
Molecular Weight322.98 g/mol
Exact Mass320.90
IUPAC Name1,5-dibromo-3-methoxy-2-(1-nitrosoethyl)benzene
SMILESCOc1cc(Br)cc(Br)c1C(C)N=O
InChIInChI=1S/C9H9Br2NO2/c1-5(12-13)9-7(11)3-6(10)4-8(9)14-2/h3-5H,1-2H3
InChIKeyQUONIAHTHAPGLP-UHFFFAOYSA-N
XLogP4.05
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.98
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,5-dibromo-3-methoxy-2-(1-nitrosoethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-3-methoxy-2-propan-2-ylphenol
CID 84704901
1,3,5-tribromo-2-[1-(2,4,6-tribromophenyl)ethyl]benzene
CID 139670276
(1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine
CID 82759020
1-(2-bromo-4,6-dimethoxyphenyl)ethanol
CID 84710416
2-(5-bromo-3-methoxy-2-propan-2-ylphenyl)propan-2-ol
CID 117463264
1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol
CID 117439689
5-bromo-2-chloro-1,3-dimethoxybenzene
CID 22557902
1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene
CID 11978812
magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride
CID 173037834
1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene
CID 119008038
2,5-dibromo-1-methoxy-3-methylsulfanylbenzene
CID 74891357
5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene
CID 75486221

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-3-methoxy-2-(1-nitrosoethyl)benzene?
The IUPAC name of 1,5-dibromo-3-methoxy-2-(1-nitrosoethyl)benzene (CID 123542330) is 1,5-dibromo-3-methoxy-2-(1-nitrosoethyl)benzene.
What is the SMILES notation for 1,5-dibromo-3-methoxy-2-(1-nitrosoethyl)benzene?
The canonical SMILES for 1,5-dibromo-3-methoxy-2-(1-nitrosoethyl)benzene is COc1cc(Br)cc(Br)c1C(C)N=O.
What is the InChIKey of 1,5-dibromo-3-methoxy-2-(1-nitrosoethyl)benzene?
The InChIKey is QUONIAHTHAPGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO2/c1-5(12-13)9-7(11)3-6(10)4-8(9)14-2/h3-5H,1-2H3.
What are the key properties of 1,5-dibromo-3-methoxy-2-(1-nitrosoethyl)benzene?
1,5-dibromo-3-methoxy-2-(1-nitrosoethyl)benzene has a molecular weight of 322.98 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-3-methoxy-2-(1-nitrosoethyl)benzene is sourced from PubChem (CID 123542330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).