2-(bromomethyl)-4-chloro-1-propoxybenzene

C10H12BrClO — CID 43142008

IUPAC2-(bromomethyl)-4-chloro-1-propoxybenzene
SMILESCCCOc1ccc(Cl)cc1CBr
InChIInChI=1S/C10H12BrClO/c1-2-5-13-10-4-3-9(12)6-8(10)7-11/h3-4,6H,2,5,7H2,1H3
InChIKeyFMELJNQFGOOMCM-UHFFFAOYSA-N
MW263.56 g/mol
LogP4.02
Rot. Bonds4

About 2-(bromomethyl)-4-chloro-1-propoxybenzene

2-(bromomethyl)-4-chloro-1-propoxybenzene (PubChem CID 43142008) has the molecular formula C10H12BrClO and a molecular weight of 263.56 g/mol. Its IUPAC name is 2-(bromomethyl)-4-chloro-1-propoxybenzene.

Molecular Properties

Compound Name2-(bromomethyl)-4-chloro-1-propoxybenzene
PubChem CID43142008
Molecular FormulaC10H12BrClO
Molecular Weight263.56 g/mol
Exact Mass261.98
IUPAC Name2-(bromomethyl)-4-chloro-1-propoxybenzene
SMILESCCCOc1ccc(Cl)cc1CBr
InChIInChI=1S/C10H12BrClO/c1-2-5-13-10-4-3-9(12)6-8(10)7-11/h3-4,6H,2,5,7H2,1H3
InChIKeyFMELJNQFGOOMCM-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.56
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene
CID 43142012
2-(bromomethyl)-4-chloro-1-(3-methylbutoxy)benzene
CID 43141990
2-(bromomethyl)-4-chloro-1-(2-methylpropoxy)benzene
CID 43142000
2-(5-chloro-2-propoxyphenyl)-N-methylethanamine
CID 82550114
N-[(5-chloro-2-propoxyphenyl)methyl]propan-1-amine
CID 29224432
4-chloro-2-(2-methylbut-3-ynyl)-1-propoxybenzene
CID 83933419
2-[2-(bromomethyl)-4-chlorophenoxy]ethyl carbamate
CID 175387864
2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene
CID 65316926
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine
CID 29224434
1-(bromomethyl)-2-propoxybenzene
CID 43141572
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-chloro-1-propoxybenzene?
The IUPAC name of 2-(bromomethyl)-4-chloro-1-propoxybenzene (CID 43142008) is 2-(bromomethyl)-4-chloro-1-propoxybenzene.
What is the SMILES notation for 2-(bromomethyl)-4-chloro-1-propoxybenzene?
The canonical SMILES for 2-(bromomethyl)-4-chloro-1-propoxybenzene is CCCOc1ccc(Cl)cc1CBr.
What is the InChIKey of 2-(bromomethyl)-4-chloro-1-propoxybenzene?
The InChIKey is FMELJNQFGOOMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO/c1-2-5-13-10-4-3-9(12)6-8(10)7-11/h3-4,6H,2,5,7H2,1H3.
What are the key properties of 2-(bromomethyl)-4-chloro-1-propoxybenzene?
2-(bromomethyl)-4-chloro-1-propoxybenzene has a molecular weight of 263.56 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-chloro-1-propoxybenzene is sourced from PubChem (CID 43142008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).