2-[(3-bromo-4-fluorophenyl)methyl]-4-tert-butylcyclohexan-1-ol

C17H24BrFO — CID 63461071

IUPAC2-[(3-bromo-4-fluorophenyl)methyl]-4-tert-butylcyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(Cc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C17H24BrFO/c1-17(2,3)13-5-7-16(20)12(10-13)8-11-4-6-15(19)14(18)9-11/h4,6,9,12-13,16,20H,5,7-8,10H2,1-3H3
InChIKeyZXMHWMLYCYAEFQ-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.95
Rot. Bonds2

About 2-[(3-bromo-4-fluorophenyl)methyl]-4-tert-butylcyclohexan-1-ol

2-[(3-bromo-4-fluorophenyl)methyl]-4-tert-butylcyclohexan-1-ol (PubChem CID 63461071) has the molecular formula C17H24BrFO and a molecular weight of 343.28 g/mol. Its IUPAC name is 2-[(3-bromo-4-fluorophenyl)methyl]-4-tert-butylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3-bromo-4-fluorophenyl)methyl]-4-tert-butylcyclohexan-1-ol
PubChem CID63461071
Molecular FormulaC17H24BrFO
Molecular Weight343.28 g/mol
Exact Mass342.10
IUPAC Name2-[(3-bromo-4-fluorophenyl)methyl]-4-tert-butylcyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(Cc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C17H24BrFO/c1-17(2,3)13-5-7-16(20)12(10-13)8-11-4-6-15(19)14(18)9-11/h4,6,9,12-13,16,20H,5,7-8,10H2,1-3H3
InChIKeyZXMHWMLYCYAEFQ-UHFFFAOYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(3-bromo-4-fluorophenyl)methyl]-4-tert-butylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-2-[(4-fluorophenyl)methyl]cyclohexan-1-ol
CID 63461998
2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-ol
CID 55193773
4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]cyclohexan-1-ol
CID 63461445
4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol
CID 83183283
2-[(3-bromo-4-methoxyphenyl)methyl]-4-tert-butylcyclohexan-1-amine
CID 63401667
[4-tert-butyl-2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 107889301
tert-butyl 3-[(3-bromo-4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate
CID 104928486
2-bromo-4-[(3-bromo-2-methylcyclopentyl)methyl]-1-fluorobenzene
CID 64907534
1-[(5-tert-butyl-2-chlorocyclohexyl)methyl]-4-fluorobenzene
CID 63459697
1-bromo-3-[(5-tert-butyl-2-chlorocyclohexyl)methyl]benzene
CID 63459699
2-[(2-bromo-5-tert-butylcyclohexyl)methyl]-1,4-difluorobenzene
CID 63470899
3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine
CID 83148247

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-fluorophenyl)methyl]-4-tert-butylcyclohexan-1-ol?
The IUPAC name of 2-[(3-bromo-4-fluorophenyl)methyl]-4-tert-butylcyclohexan-1-ol (CID 63461071) is 2-[(3-bromo-4-fluorophenyl)methyl]-4-tert-butylcyclohexan-1-ol.
What is the SMILES notation for 2-[(3-bromo-4-fluorophenyl)methyl]-4-tert-butylcyclohexan-1-ol?
The canonical SMILES for 2-[(3-bromo-4-fluorophenyl)methyl]-4-tert-butylcyclohexan-1-ol is CC(C)(C)C1CCC(O)C(Cc2ccc(F)c(Br)c2)C1.
What is the InChIKey of 2-[(3-bromo-4-fluorophenyl)methyl]-4-tert-butylcyclohexan-1-ol?
The InChIKey is ZXMHWMLYCYAEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFO/c1-17(2,3)13-5-7-16(20)12(10-13)8-11-4-6-15(19)14(18)9-11/h4,6,9,12-13,16,20H,5,7-8,10H2,1-3H3.
What are the key properties of 2-[(3-bromo-4-fluorophenyl)methyl]-4-tert-butylcyclohexan-1-ol?
2-[(3-bromo-4-fluorophenyl)methyl]-4-tert-butylcyclohexan-1-ol has a molecular weight of 343.28 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-fluorophenyl)methyl]-4-tert-butylcyclohexan-1-ol is sourced from PubChem (CID 63461071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).