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

C10H10BrClO — CID 117408877

IUPAC1-[(2-bromo-4-chlorophenyl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C10H10BrClO/c11-9-5-8(12)2-1-7(9)6-10(13)3-4-10/h1-2,5,13H,3-4,6H2
InChIKeyDYPROCCLIVRGBY-UHFFFAOYSA-N
MW261.55 g/mol
LogP3.17
Rot. Bonds2

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

1-[(2-bromo-4-chlorophenyl)methyl]cyclopropan-1-ol (PubChem CID 117408877) has the molecular formula C10H10BrClO and a molecular weight of 261.55 g/mol. Its IUPAC name is 1-[(2-bromo-4-chlorophenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(2-bromo-4-chlorophenyl)methyl]cyclopropan-1-ol
PubChem CID117408877
Molecular FormulaC10H10BrClO
Molecular Weight261.55 g/mol
Exact Mass259.96
IUPAC Name1-[(2-bromo-4-chlorophenyl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C10H10BrClO/c11-9-5-8(12)2-1-7(9)6-10(13)3-4-10/h1-2,5,13H,3-4,6H2
InChIKeyDYPROCCLIVRGBY-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromo-4-chlorophenyl)methyl]cyclobutan-1-ol
CID 162351024
1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol
CID 114852385
1-[(5-bromo-2-chloro-4-fluorophenyl)methyl]cyclopropan-1-ol
CID 117448567
1-[(2,5-dichlorophenyl)methyl]cyclopentan-1-ol
CID 65316755
1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117322636
6-chloro-3-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol
CID 117374951
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
1-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 113471149
1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol
CID 117117572
1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol
CID 117364001
1-[(4-bromo-2-methylphenyl)methyl]cyclopropan-1-ol
CID 117354310
3-[(2,4-dichlorophenyl)methyl]oxetan-3-ol
CID 164649438

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-chlorophenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(2-bromo-4-chlorophenyl)methyl]cyclopropan-1-ol (CID 117408877) is 1-[(2-bromo-4-chlorophenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(2-bromo-4-chlorophenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(2-bromo-4-chlorophenyl)methyl]cyclopropan-1-ol is OC1(Cc2ccc(Cl)cc2Br)CC1.
What is the InChIKey of 1-[(2-bromo-4-chlorophenyl)methyl]cyclopropan-1-ol?
The InChIKey is DYPROCCLIVRGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO/c11-9-5-8(12)2-1-7(9)6-10(13)3-4-10/h1-2,5,13H,3-4,6H2.
What are the key properties of 1-[(2-bromo-4-chlorophenyl)methyl]cyclopropan-1-ol?
1-[(2-bromo-4-chlorophenyl)methyl]cyclopropan-1-ol has a molecular weight of 261.55 g/mol, XLogP of 3.17, 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]cyclopropan-1-ol is sourced from PubChem (CID 117408877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).