1-[(5-bromo-2-fluorophenyl)methyl]-2-ethylcyclohexan-1-ol

C15H20BrFO — CID 65148904

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-2-ethylcyclohexan-1-ol
SMILESCCC1CCCCC1(O)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H20BrFO/c1-2-12-5-3-4-8-15(12,18)10-11-9-13(16)6-7-14(11)17/h6-7,9,12,18H,2-5,8,10H2,1H3
InChIKeyJZLGFEZWASOICO-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.46
Rot. Bonds3

About 1-[(5-bromo-2-fluorophenyl)methyl]-2-ethylcyclohexan-1-ol

1-[(5-bromo-2-fluorophenyl)methyl]-2-ethylcyclohexan-1-ol (PubChem CID 65148904) 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-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-2-ethylcyclohexan-1-ol
PubChem CID65148904
Molecular FormulaC15H20BrFO
Molecular Weight315.23 g/mol
Exact Mass314.07
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-2-ethylcyclohexan-1-ol
SMILESCCC1CCCCC1(O)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H20BrFO/c1-2-12-5-3-4-8-15(12,18)10-11-9-13(16)6-7-14(11)17/h6-7,9,12,18H,2-5,8,10H2,1H3
InChIKeyJZLGFEZWASOICO-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 54.46
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]-2,3-dimethylcyclohexan-1-ol
CID 65154386
1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol
CID 65149328
1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65151856
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65147295
trans-(1S,2R)-1-[(5-chloro-2-fluorophenyl)methyl]-2-[(dipropylamino)methyl]cyclohexan-1-ol
CID 70377147
1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol
CID 103039179
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 65153621
N-[[1-[(5-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63509584
1-[(2-chloro-4-methylphenyl)methyl]-2-ethylcyclopentan-1-ol
CID 106866634
1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 65393710
1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 62595059

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-2-ethylcyclohexan-1-ol?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-2-ethylcyclohexan-1-ol (CID 65148904) is 1-[(5-bromo-2-fluorophenyl)methyl]-2-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-2-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-2-ethylcyclohexan-1-ol is CCC1CCCCC1(O)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-2-ethylcyclohexan-1-ol?
The InChIKey is JZLGFEZWASOICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFO/c1-2-12-5-3-4-8-15(12,18)10-11-9-13(16)6-7-14(11)17/h6-7,9,12,18H,2-5,8,10H2,1H3.
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-2-ethylcyclohexan-1-ol?
1-[(5-bromo-2-fluorophenyl)methyl]-2-ethylcyclohexan-1-ol has a molecular weight of 315.23 g/mol, XLogP of 4.46, 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]-2-ethylcyclohexan-1-ol is sourced from PubChem (CID 65148904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).