1-[(2-bromo-4-chlorophenyl)methyl]cyclobutan-1-ol

C11H12BrClO — CID 162351024

IUPAC1-[(2-bromo-4-chlorophenyl)methyl]cyclobutan-1-ol
SMILESOC1(Cc2ccc(Cl)cc2Br)CCC1
InChIInChI=1S/C11H12BrClO/c12-10-6-9(13)3-2-8(10)7-11(14)4-1-5-11/h2-3,6,14H,1,4-5,7H2
InChIKeyVZIYGHAMSGATJZ-UHFFFAOYSA-N
MW275.57 g/mol
LogP3.56
Rot. Bonds2

About 1-[(2-bromo-4-chlorophenyl)methyl]cyclobutan-1-ol

1-[(2-bromo-4-chlorophenyl)methyl]cyclobutan-1-ol (PubChem CID 162351024) has the molecular formula C11H12BrClO and a molecular weight of 275.57 g/mol. Its IUPAC name is 1-[(2-bromo-4-chlorophenyl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(2-bromo-4-chlorophenyl)methyl]cyclobutan-1-ol
PubChem CID162351024
Molecular FormulaC11H12BrClO
Molecular Weight275.57 g/mol
Exact Mass273.98
IUPAC Name1-[(2-bromo-4-chlorophenyl)methyl]cyclobutan-1-ol
SMILESOC1(Cc2ccc(Cl)cc2Br)CCC1
InChIInChI=1S/C11H12BrClO/c12-10-6-9(13)3-2-8(10)7-11(14)4-1-5-11/h2-3,6,14H,1,4-5,7H2
InChIKeyVZIYGHAMSGATJZ-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.57
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromo-4-chlorophenyl)methyl]cyclopropan-1-ol
CID 117408877
1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol
CID 114852385
1-[(2,5-dichlorophenyl)methyl]cyclopentan-1-ol
CID 65316755
1-[(2-bromo-4-chloroanilino)methyl]cyclohexan-1-ol
CID 81270602
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65147295
4-[(4-chloro-2-fluorophenyl)methyl]-1-methylazepan-4-ol
CID 114852273
4-[(2-bromo-4-fluorophenyl)methyl]-1-methylazepan-4-ol
CID 65153879
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 65151801
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
CID 106866034
1-[(5-bromo-2-chloro-4-fluorophenyl)methyl]cyclopropan-1-ol
CID 117448567
1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol
CID 103039079

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-chlorophenyl)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(2-bromo-4-chlorophenyl)methyl]cyclobutan-1-ol (CID 162351024) is 1-[(2-bromo-4-chlorophenyl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(2-bromo-4-chlorophenyl)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(2-bromo-4-chlorophenyl)methyl]cyclobutan-1-ol is OC1(Cc2ccc(Cl)cc2Br)CCC1.
What is the InChIKey of 1-[(2-bromo-4-chlorophenyl)methyl]cyclobutan-1-ol?
The InChIKey is VZIYGHAMSGATJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO/c12-10-6-9(13)3-2-8(10)7-11(14)4-1-5-11/h2-3,6,14H,1,4-5,7H2.
What are the key properties of 1-[(2-bromo-4-chlorophenyl)methyl]cyclobutan-1-ol?
1-[(2-bromo-4-chlorophenyl)methyl]cyclobutan-1-ol has a molecular weight of 275.57 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-chlorophenyl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 162351024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).