1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol

C11H12BrClO — CID 82779522

IUPAC1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol
SMILESCC(O)(c1ccc(Br)cc1Cl)C1CC1
InChIInChI=1S/C11H12BrClO/c1-11(14,7-2-3-7)9-5-4-8(12)6-10(9)13/h4-7,14H,2-3H2,1H3
InChIKeyADIWDEYEZLMWGU-UHFFFAOYSA-N
MW275.57 g/mol
LogP3.72
Rot. Bonds2

About 1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol

1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol (PubChem CID 82779522) has the molecular formula C11H12BrClO and a molecular weight of 275.57 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol
PubChem CID82779522
Molecular FormulaC11H12BrClO
Molecular Weight275.57 g/mol
Exact Mass273.98
IUPAC Name1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol
SMILESCC(O)(c1ccc(Br)cc1Cl)C1CC1
InChIInChI=1S/C11H12BrClO/c1-11(14,7-2-3-7)9-5-4-8(12)6-10(9)13/h4-7,14H,2-3H2,1H3
InChIKeyADIWDEYEZLMWGU-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol
CID 82778951
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol
CID 114191784
2-(4-bromo-2-chlorophenyl)-2-methylpropanoic acid
CID 83745261
2-(4-bromo-2-chlorophenyl)-1-methoxypropan-2-ol
CID 82779920
2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol
CID 82779190
2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid
CID 82773455
2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol
CID 82780730
2-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)butan-2-ol
CID 82779706
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-(4-bromo-2-chlorophenyl)ethanol
CID 82775704
2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol
CID 82779284
1-[[2-(4-bromo-2-chlorophenyl)-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 138016345

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol (CID 82779522) is 1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol is CC(O)(c1ccc(Br)cc1Cl)C1CC1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol?
The InChIKey is ADIWDEYEZLMWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO/c1-11(14,7-2-3-7)9-5-4-8(12)6-10(9)13/h4-7,14H,2-3H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol?
1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol has a molecular weight of 275.57 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol is sourced from PubChem (CID 82779522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).