1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol

C16H22BrFO — CID 65151856

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
SMILESCCC1CCCC(O)(Cc2cc(Br)ccc2F)CC1
InChIInChI=1S/C16H22BrFO/c1-2-12-4-3-8-16(19,9-7-12)11-13-10-14(17)5-6-15(13)18/h5-6,10,12,19H,2-4,7-9,11H2,1H3
InChIKeyDYZGCGXKWRWYNG-UHFFFAOYSA-N
MW329.25 g/mol
LogP4.85
Rot. Bonds3

About 1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol

1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol (PubChem CID 65151856) has the molecular formula C16H22BrFO and a molecular weight of 329.25 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
PubChem CID65151856
Molecular FormulaC16H22BrFO
Molecular Weight329.25 g/mol
Exact Mass328.08
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
SMILESCCC1CCCC(O)(Cc2cc(Br)ccc2F)CC1
InChIInChI=1S/C16H22BrFO/c1-2-12-4-3-8-16(19,9-7-12)11-13-10-14(17)5-6-15(13)18/h5-6,10,12,19H,2-4,7-9,11H2,1H3
InChIKeyDYZGCGXKWRWYNG-UHFFFAOYSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147432
4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65085739
1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65151861
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65147295
1-[(3-bromo-4-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65086137
1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 65393710
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 65153621
1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol
CID 55186945
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-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 62197513
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-ethylcycloheptan-1-ol?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol (CID 65151856) is 1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol is CCC1CCCC(O)(Cc2cc(Br)ccc2F)CC1.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol?
The InChIKey is DYZGCGXKWRWYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFO/c1-2-12-4-3-8-16(19,9-7-12)11-13-10-14(17)5-6-15(13)18/h5-6,10,12,19H,2-4,7-9,11H2,1H3.
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol?
1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol has a molecular weight of 329.25 g/mol, XLogP of 4.85, 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-ethylcycloheptan-1-ol is sourced from PubChem (CID 65151856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).