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

C17H24BrFO — CID 79747124

IUPAC(3-bromo-4-fluorophenyl)-(4-butylcyclohexyl)methanol
SMILESCCCCC1CCC(C(O)c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C17H24BrFO/c1-2-3-4-12-5-7-13(8-6-12)17(20)14-9-10-16(19)15(18)11-14/h9-13,17,20H,2-8H2,1H3
InChIKeyMGOHUJVPBGNIPQ-UHFFFAOYSA-N
MW343.28 g/mol
LogP5.62
Rot. Bonds5

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

(3-bromo-4-fluorophenyl)-(4-butylcyclohexyl)methanol (PubChem CID 79747124) has the molecular formula C17H24BrFO and a molecular weight of 343.28 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(4-butylcyclohexyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(4-butylcyclohexyl)methanol
PubChem CID79747124
Molecular FormulaC17H24BrFO
Molecular Weight343.28 g/mol
Exact Mass342.10
IUPAC Name(3-bromo-4-fluorophenyl)-(4-butylcyclohexyl)methanol
SMILESCCCCC1CCC(C(O)c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C17H24BrFO/c1-2-3-4-12-5-7-13(8-6-12)17(20)14-9-10-16(19)15(18)11-14/h9-13,17,20H,2-8H2,1H3
InChIKeyMGOHUJVPBGNIPQ-UHFFFAOYSA-N
XLogP5.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.28
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol
CID 63428449
(4-butylcyclohexyl)-(4-chlorophenyl)methanol
CID 63426121
(4-butylcyclohexyl)-(3-fluorophenyl)methanol
CID 114978561
(4-butylcyclohexyl)-(3-methylphenyl)methanol
CID 114978020
(3-bromo-2,6-difluorophenyl)-(4-butylcyclohexyl)methanamine
CID 106944640
1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol
CID 82809898
(4-butylcyclohexyl)-(2,5-difluorophenyl)methanamine
CID 43100104
2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65424348
(R)-(3-bromo-4-fluorophenyl)-cyclopropylmethanamine
CID 130739408
(3-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826764
(3-ethylcyclopentyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107288500
(4-butylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 63426635

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(4-butylcyclohexyl)methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-(4-butylcyclohexyl)methanol (CID 79747124) is (3-bromo-4-fluorophenyl)-(4-butylcyclohexyl)methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(4-butylcyclohexyl)methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(4-butylcyclohexyl)methanol is CCCCC1CCC(C(O)c2ccc(F)c(Br)c2)CC1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(4-butylcyclohexyl)methanol?
The InChIKey is MGOHUJVPBGNIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFO/c1-2-3-4-12-5-7-13(8-6-12)17(20)14-9-10-16(19)15(18)11-14/h9-13,17,20H,2-8H2,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(4-butylcyclohexyl)methanol?
(3-bromo-4-fluorophenyl)-(4-butylcyclohexyl)methanol has a molecular weight of 343.28 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(4-butylcyclohexyl)methanol is sourced from PubChem (CID 79747124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).