4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol

C17H25FO2 — CID 104793164

IUPAC4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol
SMILESCCC1CCCC(O)(Cc2cccc(OC)c2F)CC1
InChIInChI=1S/C17H25FO2/c1-3-13-6-5-10-17(19,11-9-13)12-14-7-4-8-15(20-2)16(14)18/h4,7-8,13,19H,3,5-6,9-12H2,1-2H3
InChIKeyWIHMIHFVQYGBRP-UHFFFAOYSA-N
MW280.38 g/mol
LogP4.10
Rot. Bonds4

About 4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol

4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol (PubChem CID 104793164) has the molecular formula C17H25FO2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol
PubChem CID104793164
Molecular FormulaC17H25FO2
Molecular Weight280.38 g/mol
Exact Mass280.18
IUPAC Name4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol
SMILESCCC1CCCC(O)(Cc2cccc(OC)c2F)CC1
InChIInChI=1S/C17H25FO2/c1-3-13-6-5-10-17(19,11-9-13)12-14-7-4-8-15(20-2)16(14)18/h4,7-8,13,19H,3,5-6,9-12H2,1-2H3
InChIKeyWIHMIHFVQYGBRP-UHFFFAOYSA-N
XLogP4.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 104792990
3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol
CID 113453697
4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65085739
1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147733
1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 104795403
1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65151856
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 62197513
1-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoro-3-methoxybenzene
CID 104795473
1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 104791869
4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800308
1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 115800128
1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol
CID 104793153

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol?
The IUPAC name of 4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol (CID 104793164) is 4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol?
The canonical SMILES for 4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol is CCC1CCCC(O)(Cc2cccc(OC)c2F)CC1.
What is the InChIKey of 4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol?
The InChIKey is WIHMIHFVQYGBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO2/c1-3-13-6-5-10-17(19,11-9-13)12-14-7-4-8-15(20-2)16(14)18/h4,7-8,13,19H,3,5-6,9-12H2,1-2H3.
What are the key properties of 4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol?
4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol has a molecular weight of 280.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 104793164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).