1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol

C16H23FO2 — CID 65399384

IUPAC1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)C2CCCCCC2)cc1F
InChIInChI=1S/C16H23FO2/c1-19-16-9-8-12(10-14(16)17)11-15(18)13-6-4-2-3-5-7-13/h8-10,13,15,18H,2-7,11H2,1H3
InChIKeyAQDHIBQXPLHTKG-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.71
Rot. Bonds4

About 1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol

1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol (PubChem CID 65399384) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol
PubChem CID65399384
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Name1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)C2CCCCCC2)cc1F
InChIInChI=1S/C16H23FO2/c1-19-16-9-8-12(10-14(16)17)11-15(18)13-6-4-2-3-5-7-13/h8-10,13,15,18H,2-7,11H2,1H3
InChIKeyAQDHIBQXPLHTKG-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65398856
[1-cyclooctyl-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105255092
[1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine
CID 105292967
1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 103168395
1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
CID 105084457
2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol
CID 107883654
1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 79973379
2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 82920862
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115829530
4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 115829847
4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 115829566
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829604

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol (CID 65399384) is 1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol is COc1ccc(CC(O)C2CCCCCC2)cc1F.
What is the InChIKey of 1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is AQDHIBQXPLHTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2/c1-19-16-9-8-12(10-14(16)17)11-15(18)13-6-4-2-3-5-7-13/h8-10,13,15,18H,2-7,11H2,1H3.
What are the key properties of 1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol?
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol has a molecular weight of 266.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 65399384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).