4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol

C16H23FO — CID 65085739

IUPAC4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol
SMILESCCC1CCCC(O)(Cc2ccccc2F)CC1
InChIInChI=1S/C16H23FO/c1-2-13-6-5-10-16(18,11-9-13)12-14-7-3-4-8-15(14)17/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3
InChIKeyFPPMGWHNZGWASL-UHFFFAOYSA-N
MW250.36 g/mol
LogP4.09
Rot. Bonds3

About 4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol

4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol (PubChem CID 65085739) has the molecular formula C16H23FO and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol
PubChem CID65085739
Molecular FormulaC16H23FO
Molecular Weight250.36 g/mol
Exact Mass250.17
IUPAC Name4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol
SMILESCCC1CCCC(O)(Cc2ccccc2F)CC1
InChIInChI=1S/C16H23FO/c1-2-13-6-5-10-16(18,11-9-13)12-14-7-3-4-8-15(14)17/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3
InChIKeyFPPMGWHNZGWASL-UHFFFAOYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147733
1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65151856
4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol
CID 104793164
3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 67983841
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 62197513
1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147432
1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090602
1-[(3-bromo-4-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65086137
4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 104792990
1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090405
1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65151861
1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090912

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol?
The IUPAC name of 4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol (CID 65085739) is 4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol?
The canonical SMILES for 4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol is CCC1CCCC(O)(Cc2ccccc2F)CC1.
What is the InChIKey of 4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol?
The InChIKey is FPPMGWHNZGWASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO/c1-2-13-6-5-10-16(18,11-9-13)12-14-7-3-4-8-15(14)17/h3-4,7-8,13,18H,2,5-6,9-12H2,1H3.
What are the key properties of 4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol?
4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol has a molecular weight of 250.36 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 65085739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).