(3-bromo-4-chlorophenyl)-cyclopropylmethanol

C10H10BrClO — CID 115566480

IUPAC(3-bromo-4-chlorophenyl)-cyclopropylmethanol
SMILESOC(c1ccc(Cl)c(Br)c1)C1CC1
InChIInChI=1S/C10H10BrClO/c11-8-5-7(3-4-9(8)12)10(13)6-1-2-6/h3-6,10,13H,1-2H2
InChIKeyJUAMCNBJVJQACD-UHFFFAOYSA-N
MW261.55 g/mol
LogP3.55
Rot. Bonds2

About (3-bromo-4-chlorophenyl)-cyclopropylmethanol

(3-bromo-4-chlorophenyl)-cyclopropylmethanol (PubChem CID 115566480) has the molecular formula C10H10BrClO and a molecular weight of 261.55 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-cyclopropylmethanol.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-cyclopropylmethanol
PubChem CID115566480
Molecular FormulaC10H10BrClO
Molecular Weight261.55 g/mol
Exact Mass259.96
IUPAC Name(3-bromo-4-chlorophenyl)-cyclopropylmethanol
SMILESOC(c1ccc(Cl)c(Br)c1)C1CC1
InChIInChI=1S/C10H10BrClO/c11-8-5-7(3-4-9(8)12)10(13)6-1-2-6/h3-6,10,13H,1-2H2
InChIKeyJUAMCNBJVJQACD-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-chlorophenyl)-(oxan-4-yl)methanol
CID 115566537
(3-bromo-4-chlorophenyl)-(1,1-dioxothiolan-3-yl)methanol
CID 83230480
(1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclopropylethanol;hydrochloride
CID 171267796
1-(3-bromo-4-chlorophenyl)-3-cyclopropylpropan-1-ol
CID 115566287
cyclooctyl-(3,4-dichlorophenyl)methanol
CID 65023087
(S)-(3-bromo-4-chlorophenyl)-cyclohexylmethanamine
CID 171222570
1-(3-bromo-4-chlorophenyl)-1-cyclopropyl-N-methylmethanamine
CID 115567170
(S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171222569
(1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol
CID 171267801
amino-(3-bromo-4-chlorophenyl)methanol
CID 141216325
(1R)-1-(3-bromo-4-chlorophenyl)ethanol
CID 112756230
(5-bromo-2-chlorophenyl)-cyclopropylmethanol
CID 115810196

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-cyclopropylmethanol?
The IUPAC name of (3-bromo-4-chlorophenyl)-cyclopropylmethanol (CID 115566480) is (3-bromo-4-chlorophenyl)-cyclopropylmethanol.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-cyclopropylmethanol?
The canonical SMILES for (3-bromo-4-chlorophenyl)-cyclopropylmethanol is OC(c1ccc(Cl)c(Br)c1)C1CC1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-cyclopropylmethanol?
The InChIKey is JUAMCNBJVJQACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO/c11-8-5-7(3-4-9(8)12)10(13)6-1-2-6/h3-6,10,13H,1-2H2.
What are the key properties of (3-bromo-4-chlorophenyl)-cyclopropylmethanol?
(3-bromo-4-chlorophenyl)-cyclopropylmethanol has a molecular weight of 261.55 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-cyclopropylmethanol is sourced from PubChem (CID 115566480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).