2-bromo-1-(3-bromopropyl)-3-methoxybenzene

C10H12Br2O — CID 119022579

IUPAC2-bromo-1-(3-bromopropyl)-3-methoxybenzene
SMILESCOc1cccc(CCCBr)c1Br
InChIInChI=1S/C10H12Br2O/c1-13-9-6-2-4-8(10(9)12)5-3-7-11/h2,4,6H,3,5,7H2,1H3
InChIKeyKWVRCOOSMFPWMD-UHFFFAOYSA-N
MW308.01 g/mol
LogP3.79
Rot. Bonds4

About 2-bromo-1-(3-bromopropyl)-3-methoxybenzene

2-bromo-1-(3-bromopropyl)-3-methoxybenzene (PubChem CID 119022579) has the molecular formula C10H12Br2O and a molecular weight of 308.01 g/mol. Its IUPAC name is 2-bromo-1-(3-bromopropyl)-3-methoxybenzene.

Molecular Properties

Compound Name2-bromo-1-(3-bromopropyl)-3-methoxybenzene
PubChem CID119022579
Molecular FormulaC10H12Br2O
Molecular Weight308.01 g/mol
Exact Mass305.93
IUPAC Name2-bromo-1-(3-bromopropyl)-3-methoxybenzene
SMILESCOc1cccc(CCCBr)c1Br
InChIInChI=1S/C10H12Br2O/c1-13-9-6-2-4-8(10(9)12)5-3-7-11/h2,4,6H,3,5,7H2,1H3
InChIKeyKWVRCOOSMFPWMD-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.01
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-1-(3-bromopropyl)-3-methoxybenzene 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

1-(3-bromopropyl)-2-fluoro-3-methoxybenzene
CID 82812209
2-(2-bromo-3-methoxyphenyl)ethanamine
CID 83711367
1-(5-bromopentyl)-2-methoxybenzene
CID 18786551
(2-bromo-3-methoxyphenyl)methanol
CID 54103130
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
[2-bromo-3-(3-bromopropyl)phenyl]methanol
CID 118993748
N-[(2-bromo-3-methoxyphenyl)methyl]hydroxylamine
CID 117335656
1-(3-bromopropyl)-3-(difluoromethoxy)-2-methoxybenzene
CID 118842066
1-(3-bromopropyl)-3-fluoro-2-methoxybenzene
CID 118853515
1-(3-bromopropyl)-2-ethoxybenzene
CID 18786539
acetylene;1-(2-bromoethyl)-2-methoxybenzene
CID 143927772
1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine
CID 84738148

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromopropyl)-3-methoxybenzene?
The IUPAC name of 2-bromo-1-(3-bromopropyl)-3-methoxybenzene (CID 119022579) is 2-bromo-1-(3-bromopropyl)-3-methoxybenzene.
What is the SMILES notation for 2-bromo-1-(3-bromopropyl)-3-methoxybenzene?
The canonical SMILES for 2-bromo-1-(3-bromopropyl)-3-methoxybenzene is COc1cccc(CCCBr)c1Br.
What is the InChIKey of 2-bromo-1-(3-bromopropyl)-3-methoxybenzene?
The InChIKey is KWVRCOOSMFPWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O/c1-13-9-6-2-4-8(10(9)12)5-3-7-11/h2,4,6H,3,5,7H2,1H3.
What are the key properties of 2-bromo-1-(3-bromopropyl)-3-methoxybenzene?
2-bromo-1-(3-bromopropyl)-3-methoxybenzene has a molecular weight of 308.01 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-bromopropyl)-3-methoxybenzene is sourced from PubChem (CID 119022579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).