2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol

C17H24BrFO — CID 79711953

IUPAC2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)Cc2cc(F)cc(Br)c2)C(O)C1
InChIInChI=1S/C17H24BrFO/c1-11-4-5-15(16(20)6-11)17(2,3)10-12-7-13(18)9-14(19)8-12/h7-9,11,15-16,20H,4-6,10H2,1-3H3
InChIKeyBGVPDYFTWREQJO-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.95
Rot. Bonds3

About 2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol

2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 79711953) has the molecular formula C17H24BrFO and a molecular weight of 343.28 g/mol. Its IUPAC name is 2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID79711953
Molecular FormulaC17H24BrFO
Molecular Weight343.28 g/mol
Exact Mass342.10
IUPAC Name2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)Cc2cc(F)cc(Br)c2)C(O)C1
InChIInChI=1S/C17H24BrFO/c1-11-4-5-15(16(20)6-11)17(2,3)10-12-7-13(18)9-14(19)8-12/h7-9,11,15-16,20H,4-6,10H2,1-3H3
InChIKeyBGVPDYFTWREQJO-UHFFFAOYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

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Related Compounds

2-[1-(4-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
CID 64767313
2-[1-(4-iodophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
CID 65490567
3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83150924
[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009547
1-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-3,5-dimethylbenzene
CID 64766276
1-[(3-bromo-5-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-ol
CID 79702276
1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine
CID 79702565
N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83150975
5-methyl-2-(2-methylpentan-2-yl)cyclohexan-1-ol
CID 64766519
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 79701432
1-bromo-3-fluoro-5-(2-fluoro-2-methylpropyl)benzene;propane-1,3-diol
CID 143797670
1-(3-bromo-5-fluorophenyl)-2-methylpentan-2-amine
CID 79711391

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of 2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol (CID 79711953) is 2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for 2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol is CC1CCC(C(C)(C)Cc2cc(F)cc(Br)c2)C(O)C1.
What is the InChIKey of 2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is BGVPDYFTWREQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFO/c1-11-4-5-15(16(20)6-11)17(2,3)10-12-7-13(18)9-14(19)8-12/h7-9,11,15-16,20H,4-6,10H2,1-3H3.
What are the key properties of 2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol?
2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 343.28 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 79711953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).