4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol

C16H23FO — CID 107128079

IUPAC4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol
SMILESCCC1CCCC(O)(c2ccc(C)c(F)c2)CC1
InChIInChI=1S/C16H23FO/c1-3-13-5-4-9-16(18,10-8-13)14-7-6-12(2)15(17)11-14/h6-7,11,13,18H,3-5,8-10H2,1-2H3
InChIKeyFSBNUIFNKOBQHU-UHFFFAOYSA-N
MW250.36 g/mol
LogP4.31
Rot. Bonds2

About 4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol

4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol (PubChem CID 107128079) has the molecular formula C16H23FO and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol
PubChem CID107128079
Molecular FormulaC16H23FO
Molecular Weight250.36 g/mol
Exact Mass250.17
IUPAC Name4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol
SMILESCCC1CCCC(O)(c2ccc(C)c(F)c2)CC1
InChIInChI=1S/C16H23FO/c1-3-13-5-4-9-16(18,10-8-13)14-7-6-12(2)15(17)11-14/h6-7,11,13,18H,3-5,8-10H2,1-2H3
InChIKeyFSBNUIFNKOBQHU-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-1-(4-fluoro-3-methylphenyl)cycloheptan-1-ol
CID 65086040
4-ethyl-1-(3-methylphenyl)cycloheptan-1-ol
CID 65085535
4-ethyl-1-phenylcycloheptan-1-ol
CID 65085687
4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 107287038
4-ethyl-1-(2,4,5-trimethylphenyl)cycloheptan-1-ol
CID 65086189
1-(2,4-dimethylphenyl)-4-ethylcycloheptan-1-ol
CID 65085735
4-ethyl-1-thiophen-3-ylcycloheptan-1-ol
CID 65099566
1-(3,4-difluorophenyl)-4-methylcycloheptan-1-ol
CID 65084915
1-(3-fluoro-4-methylphenyl)-2,3-dimethylcyclohexan-1-ol
CID 107128067
1-(3,4-dimethylphenyl)cyclobutan-1-ol
CID 79081030
4-ethyl-1-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-ol
CID 114723986
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluoro-4-methylbenzamide
CID 65123648

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol?
The IUPAC name of 4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol (CID 107128079) is 4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol.
What is the SMILES notation for 4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol?
The canonical SMILES for 4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol is CCC1CCCC(O)(c2ccc(C)c(F)c2)CC1.
What is the InChIKey of 4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol?
The InChIKey is FSBNUIFNKOBQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO/c1-3-13-5-4-9-16(18,10-8-13)14-7-6-12(2)15(17)11-14/h6-7,11,13,18H,3-5,8-10H2,1-2H3.
What are the key properties of 4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol?
4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol has a molecular weight of 250.36 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol is sourced from PubChem (CID 107128079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).