1-(5-bromo-2-chlorophenyl)cyclopropan-1-ol

C9H8BrClO — CID 62670384

IUPAC1-(5-bromo-2-chlorophenyl)cyclopropan-1-ol
SMILESOC1(c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C9H8BrClO/c10-6-1-2-8(11)7(5-6)9(12)3-4-9/h1-2,5,12H,3-4H2
InChIKeyNFAVBIVVAPVVRC-UHFFFAOYSA-N
MW247.52 g/mol
LogP3.08
Rot. Bonds1

About 1-(5-bromo-2-chlorophenyl)cyclopropan-1-ol

1-(5-bromo-2-chlorophenyl)cyclopropan-1-ol (PubChem CID 62670384) has the molecular formula C9H8BrClO and a molecular weight of 247.52 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)cyclopropan-1-ol
PubChem CID62670384
Molecular FormulaC9H8BrClO
Molecular Weight247.52 g/mol
Exact Mass245.94
IUPAC Name1-(5-bromo-2-chlorophenyl)cyclopropan-1-ol
SMILESOC1(c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C9H8BrClO/c10-6-1-2-8(11)7(5-6)9(12)3-4-9/h1-2,5,12H,3-4H2
InChIKeyNFAVBIVVAPVVRC-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)cyclopropan-1-ol?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)cyclopropan-1-ol (CID 62670384) is 1-(5-bromo-2-chlorophenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)cyclopropan-1-ol is OC1(c2cc(Br)ccc2Cl)CC1.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)cyclopropan-1-ol?
The InChIKey is NFAVBIVVAPVVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO/c10-6-1-2-8(11)7(5-6)9(12)3-4-9/h1-2,5,12H,3-4H2.
What are the key properties of 1-(5-bromo-2-chlorophenyl)cyclopropan-1-ol?
1-(5-bromo-2-chlorophenyl)cyclopropan-1-ol has a molecular weight of 247.52 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)cyclopropan-1-ol is sourced from PubChem (CID 62670384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).