1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol

C15H20BrFO — CID 65154386

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(Cc2cc(Br)ccc2F)C1C
InChIInChI=1S/C15H20BrFO/c1-10-4-3-7-15(18,11(10)2)9-12-8-13(16)5-6-14(12)17/h5-6,8,10-11,18H,3-4,7,9H2,1-2H3
InChIKeyKTTQRCQXPDMBOT-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.32
Rot. Bonds2

About 1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol

1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol (PubChem CID 65154386) has the molecular formula C15H20BrFO and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol
PubChem CID65154386
Molecular FormulaC15H20BrFO
Molecular Weight315.23 g/mol
Exact Mass314.07
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(Cc2cc(Br)ccc2F)C1C
InChIInChI=1S/C15H20BrFO/c1-10-4-3-7-15(18,11(10)2)9-12-8-13(16)5-6-14(12)17/h5-6,8,10-11,18H,3-4,7,9H2,1-2H3
InChIKeyKTTQRCQXPDMBOT-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154192
1-[(5-bromo-2-fluorophenyl)methyl]-2-ethylcyclohexan-1-ol
CID 65148904
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 65153621
1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65151856
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65147295
1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 62595059
3-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 116540101
[1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 65194695
1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452352
1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115701
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
CID 65400296
2-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine
CID 66466031

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol (CID 65154386) is 1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol is CC1CCCC(O)(Cc2cc(Br)ccc2F)C1C.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol?
The InChIKey is KTTQRCQXPDMBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFO/c1-10-4-3-7-15(18,11(10)2)9-12-8-13(16)5-6-14(12)17/h5-6,8,10-11,18H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol?
1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol has a molecular weight of 315.23 g/mol, XLogP of 4.32, 2 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]-2,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65154386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).