2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol

C17H24BrFO2 — CID 116755725

IUPAC2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2ccc(Br)cc2F)CCC(C)(C)CC1
InChIInChI=1S/C17H24BrFO2/c1-16(2)6-8-17(21-3,9-7-16)15(20)10-12-4-5-13(18)11-14(12)19/h4-5,11,15,20H,6-10H2,1-3H3
InChIKeyWXGSULVPOOIIEF-UHFFFAOYSA-N
MW359.28 g/mol
LogP4.48
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol

2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol (PubChem CID 116755725) has the molecular formula C17H24BrFO2 and a molecular weight of 359.28 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
PubChem CID116755725
Molecular FormulaC17H24BrFO2
Molecular Weight359.28 g/mol
Exact Mass358.09
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
SMILESCOC1(C(O)Cc2ccc(Br)cc2F)CCC(C)(C)CC1
InChIInChI=1S/C17H24BrFO2/c1-16(2)6-8-17(21-3,9-7-16)15(20)10-12-4-5-13(18)11-14(12)19/h4-5,11,15,20H,6-10H2,1-3H3
InChIKeyWXGSULVPOOIIEF-UHFFFAOYSA-N
XLogP4.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
CID 116710611
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753489
2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
CID 116710491
2-(3,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755577
2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 106867603
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767753
1-[(4-bromo-2-fluorophenyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 65151955
1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol
CID 116710912
[1-[(4-bromo-2-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65392363
2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755700
1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol
CID 65092198

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol (CID 116755725) is 2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol is COC1(C(O)Cc2ccc(Br)cc2F)CCC(C)(C)CC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol?
The InChIKey is WXGSULVPOOIIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFO2/c1-16(2)6-8-17(21-3,9-7-16)15(20)10-12-4-5-13(18)11-14(12)19/h4-5,11,15,20H,6-10H2,1-3H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol?
2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol has a molecular weight of 359.28 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol is sourced from PubChem (CID 116755725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).