[1-[(5-bromo-2-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanol

C18H26BrFO — CID 66026576

IUPAC[1-[(5-bromo-2-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanol
SMILESCC(C)(C)C1CCC(CO)(Cc2cc(Br)ccc2F)CC1
InChIInChI=1S/C18H26BrFO/c1-17(2,3)14-6-8-18(12-21,9-7-14)11-13-10-15(19)4-5-16(13)20/h4-5,10,14,21H,6-9,11-12H2,1-3H3
InChIKeyQZIWZOOACRXTBB-UHFFFAOYSA-N
MW357.31 g/mol
LogP5.35
Rot. Bonds3

About [1-[(5-bromo-2-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanol

[1-[(5-bromo-2-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanol (PubChem CID 66026576) has the molecular formula C18H26BrFO and a molecular weight of 357.31 g/mol. Its IUPAC name is [1-[(5-bromo-2-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(5-bromo-2-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanol
PubChem CID66026576
Molecular FormulaC18H26BrFO
Molecular Weight357.31 g/mol
Exact Mass356.12
IUPAC Name[1-[(5-bromo-2-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanol
SMILESCC(C)(C)C1CCC(CO)(Cc2cc(Br)ccc2F)CC1
InChIInChI=1S/C18H26BrFO/c1-17(2,3)14-6-8-18(12-21,9-7-14)11-13-10-15(19)4-5-16(13)20/h4-5,10,14,21H,6-9,11-12H2,1-3H3
InChIKeyQZIWZOOACRXTBB-UHFFFAOYSA-N
XLogP5.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.31
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-[(5-bromo-2-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanol with MolForge

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Related Compounds

1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 62595059
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 65153621
[1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine
CID 66023755
N-[[1-[(5-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63509584
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
CID 65400296
3-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 83148148
3-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 116540101
1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154192
[1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 65194695
1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 66023748
2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 28724862
1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 65154386

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-2-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanol?
The IUPAC name of [1-[(5-bromo-2-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanol (CID 66026576) is [1-[(5-bromo-2-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanol.
What is the SMILES notation for [1-[(5-bromo-2-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanol?
The canonical SMILES for [1-[(5-bromo-2-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanol is CC(C)(C)C1CCC(CO)(Cc2cc(Br)ccc2F)CC1.
What is the InChIKey of [1-[(5-bromo-2-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanol?
The InChIKey is QZIWZOOACRXTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrFO/c1-17(2,3)14-6-8-18(12-21,9-7-14)11-13-10-15(19)4-5-16(13)20/h4-5,10,14,21H,6-9,11-12H2,1-3H3.
What are the key properties of [1-[(5-bromo-2-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanol?
[1-[(5-bromo-2-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanol has a molecular weight of 357.31 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-2-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanol is sourced from PubChem (CID 66026576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).