3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol

C16H22BrClO2 — CID 116756312

IUPAC3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
SMILESCOC(C(O)Cc1ccc(Br)cc1Cl)C1CCCCC1
InChIInChI=1S/C16H22BrClO2/c1-20-16(11-5-3-2-4-6-11)15(19)9-12-7-8-13(17)10-14(12)18/h7-8,10-11,15-16,19H,2-6,9H2,1H3
InChIKeyKJUSJZGZLHLLRA-UHFFFAOYSA-N
MW361.71 g/mol
LogP4.60
Rot. Bonds5

About 3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol

3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol (PubChem CID 116756312) has the molecular formula C16H22BrClO2 and a molecular weight of 361.71 g/mol. Its IUPAC name is 3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol.

Molecular Properties

Compound Name3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
PubChem CID116756312
Molecular FormulaC16H22BrClO2
Molecular Weight361.71 g/mol
Exact Mass360.05
IUPAC Name3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
SMILESCOC(C(O)Cc1ccc(Br)cc1Cl)C1CCCCC1
InChIInChI=1S/C16H22BrClO2/c1-20-16(11-5-3-2-4-6-11)15(19)9-12-7-8-13(17)10-14(12)18/h7-8,10-11,15-16,19H,2-6,9H2,1H3
InChIKeyKJUSJZGZLHLLRA-UHFFFAOYSA-N
XLogP4.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-bromo-2-chlorophenyl)-1-cyclohexylethyl]hydrazine
CID 105201861
3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
CID 107884380
2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol
CID 106640010
1-(4-bromo-2-chlorophenyl)-3,4,4-trimethylpentan-2-ol
CID 114270641
3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 103048349
[2-(4-bromo-2-chlorophenyl)-1-cyclobutylethyl]hydrazine
CID 105224466
3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712466
(1S)-N-[(4-bromo-2-chlorophenyl)methyl]-1-cyclohexylethanamine
CID 104862320
1-(4-bromo-2-chlorophenyl)-3,5-dimethylhexan-2-ol
CID 114200534
3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712649
1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol
CID 116712594
1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol
CID 116756361

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol?
The IUPAC name of 3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol (CID 116756312) is 3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol.
What is the SMILES notation for 3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol?
The canonical SMILES for 3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol is COC(C(O)Cc1ccc(Br)cc1Cl)C1CCCCC1.
What is the InChIKey of 3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol?
The InChIKey is KJUSJZGZLHLLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrClO2/c1-20-16(11-5-3-2-4-6-11)15(19)9-12-7-8-13(17)10-14(12)18/h7-8,10-11,15-16,19H,2-6,9H2,1H3.
What are the key properties of 3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol?
3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol has a molecular weight of 361.71 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol is sourced from PubChem (CID 116756312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).