(3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol

C17H24BrFO — CID 106644575

IUPAC(3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol
SMILESCC(C)(C)C1CCC(C(O)c2cccc(Br)c2F)CC1
InChIInChI=1S/C17H24BrFO/c1-17(2,3)12-9-7-11(8-10-12)16(20)13-5-4-6-14(18)15(13)19/h4-6,11-12,16,20H,7-10H2,1-3H3
InChIKeyUZWUNPZPBHXAOS-UHFFFAOYSA-N
MW343.28 g/mol
LogP5.47
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol

(3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol (PubChem CID 106644575) has the molecular formula C17H24BrFO and a molecular weight of 343.28 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol
PubChem CID106644575
Molecular FormulaC17H24BrFO
Molecular Weight343.28 g/mol
Exact Mass342.10
IUPAC Name(3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol
SMILESCC(C)(C)C1CCC(C(O)c2cccc(Br)c2F)CC1
InChIInChI=1S/C17H24BrFO/c1-17(2,3)12-9-7-11(8-10-12)16(20)13-5-4-6-14(18)15(13)19/h4-6,11-12,16,20H,7-10H2,1-3H3
InChIKeyUZWUNPZPBHXAOS-UHFFFAOYSA-N
XLogP5.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.28
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 106645178
(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol
CID 106645085
(4-tert-butylcyclohexyl)-(2-methylphenyl)methanol
CID 65403189
(3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107193133
1-(3-bromo-2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
CID 106645237
(4-tert-butylcyclohexyl)-(2-chloro-4,5-difluorophenyl)methanol
CID 107477167
cyclopentyl-(2-fluoro-3-methylphenyl)methanol
CID 115840644
(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol
CID 106761352
(4-tert-butylcyclohexyl)-(3-methylphenyl)methanol
CID 65400122
(2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 107516176
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105091992
cyclopentyl-(2,3-difluorophenyl)methanol
CID 63894572

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol (CID 106644575) is (3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol is CC(C)(C)C1CCC(C(O)c2cccc(Br)c2F)CC1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol?
The InChIKey is UZWUNPZPBHXAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFO/c1-17(2,3)12-9-7-11(8-10-12)16(20)13-5-4-6-14(18)15(13)19/h4-6,11-12,16,20H,7-10H2,1-3H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol?
(3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol has a molecular weight of 343.28 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol is sourced from PubChem (CID 106644575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).