4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene

C11H12BrClO — CID 66043796

IUPAC4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene
SMILESC=C(CC)COc1cc(Br)ccc1Cl
InChIInChI=1S/C11H12BrClO/c1-3-8(2)7-14-11-6-9(12)4-5-10(11)13/h4-6H,2-3,7H2,1H3
InChIKeyIOCCOGFSJSVZAN-UHFFFAOYSA-N
MW275.57 g/mol
LogP4.45
Rot. Bonds4

About 4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene

4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene (PubChem CID 66043796) has the molecular formula C11H12BrClO and a molecular weight of 275.57 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene
PubChem CID66043796
Molecular FormulaC11H12BrClO
Molecular Weight275.57 g/mol
Exact Mass273.98
IUPAC Name4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene
SMILESC=C(CC)COc1cc(Br)ccc1Cl
InChIInChI=1S/C11H12BrClO/c1-3-8(2)7-14-11-6-9(12)4-5-10(11)13/h4-6H,2-3,7H2,1H3
InChIKeyIOCCOGFSJSVZAN-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.57
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene
CID 114672615
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CID 106438538
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4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene
CID 79167187
1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene
CID 154157151
2-[(4-bromo-2-chlorophenoxy)methyl]prop-2-en-1-amine
CID 103066434
2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide
CID 60773244
4-bromo-1-chloro-2-(2-propoxyethoxy)benzene
CID 106452990
3-bromo-4-(2-methylidenebutoxy)benzenesulfonyl chloride
CID 82909746
2-[(2-chloro-5-methylphenoxy)methyl]prop-2-en-1-amine
CID 103066931
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CID 114525429

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene?
The IUPAC name of 4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene (CID 66043796) is 4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene.
What is the SMILES notation for 4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene?
The canonical SMILES for 4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene is C=C(CC)COc1cc(Br)ccc1Cl.
What is the InChIKey of 4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene?
The InChIKey is IOCCOGFSJSVZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO/c1-3-8(2)7-14-11-6-9(12)4-5-10(11)13/h4-6H,2-3,7H2,1H3.
What are the key properties of 4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene?
4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene has a molecular weight of 275.57 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene is sourced from PubChem (CID 66043796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).