1-bromo-2-chloro-3-(cyclopropylmethoxy)benzene

C10H10BrClO — CID 84710575

IUPAC1-bromo-2-chloro-3-(cyclopropylmethoxy)benzene
SMILESClc1c(Br)cccc1OCC1CC1
InChIInChI=1S/C10H10BrClO/c11-8-2-1-3-9(10(8)12)13-6-7-4-5-7/h1-3,7H,4-6H2
InChIKeyLUPJDNALLHMUNX-UHFFFAOYSA-N
MW261.55 g/mol
LogP3.89
Rot. Bonds3

About 1-bromo-2-chloro-3-(cyclopropylmethoxy)benzene

1-bromo-2-chloro-3-(cyclopropylmethoxy)benzene (PubChem CID 84710575) has the molecular formula C10H10BrClO and a molecular weight of 261.55 g/mol. Its IUPAC name is 1-bromo-2-chloro-3-(cyclopropylmethoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-chloro-3-(cyclopropylmethoxy)benzene
PubChem CID84710575
Molecular FormulaC10H10BrClO
Molecular Weight261.55 g/mol
Exact Mass259.96
IUPAC Name1-bromo-2-chloro-3-(cyclopropylmethoxy)benzene
SMILESClc1c(Br)cccc1OCC1CC1
InChIInChI=1S/C10H10BrClO/c11-8-2-1-3-9(10(8)12)13-6-7-4-5-7/h1-3,7H,4-6H2
InChIKeyLUPJDNALLHMUNX-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-2-chloro-3-(cyclopropylmethoxy)benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-3-(cyclopropylmethoxy)benzene?
The IUPAC name of 1-bromo-2-chloro-3-(cyclopropylmethoxy)benzene (CID 84710575) is 1-bromo-2-chloro-3-(cyclopropylmethoxy)benzene.
What is the SMILES notation for 1-bromo-2-chloro-3-(cyclopropylmethoxy)benzene?
The canonical SMILES for 1-bromo-2-chloro-3-(cyclopropylmethoxy)benzene is Clc1c(Br)cccc1OCC1CC1.
What is the InChIKey of 1-bromo-2-chloro-3-(cyclopropylmethoxy)benzene?
The InChIKey is LUPJDNALLHMUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO/c11-8-2-1-3-9(10(8)12)13-6-7-4-5-7/h1-3,7H,4-6H2.
What are the key properties of 1-bromo-2-chloro-3-(cyclopropylmethoxy)benzene?
1-bromo-2-chloro-3-(cyclopropylmethoxy)benzene has a molecular weight of 261.55 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-3-(cyclopropylmethoxy)benzene is sourced from PubChem (CID 84710575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).