cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol

C16H23FO2 — CID 82808519

IUPACcyclooctyl-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)C2CCCCCCC2)c1F
InChIInChI=1S/C16H23FO2/c1-19-14-11-7-10-13(15(14)17)16(18)12-8-5-3-2-4-6-9-12/h7,10-12,16,18H,2-6,8-9H2,1H3
InChIKeyPJCDHQWKIRNRKF-UHFFFAOYSA-N
MW266.36 g/mol
LogP4.23
Rot. Bonds3

About cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol

cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol (PubChem CID 82808519) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Namecyclooctyl-(2-fluoro-3-methoxyphenyl)methanol
PubChem CID82808519
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Namecyclooctyl-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)C2CCCCCCC2)c1F
InChIInChI=1S/C16H23FO2/c1-19-14-11-7-10-13(15(14)17)16(18)12-8-5-3-2-4-6-9-12/h7,10-12,16,18H,2-6,8-9H2,1H3
InChIKeyPJCDHQWKIRNRKF-UHFFFAOYSA-N
XLogP4.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 171268315
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 115828514
(2-amino-3-methoxyphenyl)-cyclohexylmethanol
CID 105496694
cyclohex-3-en-1-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 82805925
cyclopentyl-(2-fluoro-3-methylphenyl)methanol
CID 115840644
cyclopentyl-(2,3-difluorophenyl)methanol
CID 63894572
[2-cycloheptyl-1-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105329278
cyclooctyl-(2-propan-2-yloxyphenyl)methanol
CID 80603247
(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
CID 80603904
cycloheptyl-(2,4,5-trimethoxyphenyl)methanol
CID 82932669
cyclohexyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62790469
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol (CID 82808519) is cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol is COc1cccc(C(O)C2CCCCCCC2)c1F.
What is the InChIKey of cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol?
The InChIKey is PJCDHQWKIRNRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2/c1-19-14-11-7-10-13(15(14)17)16(18)12-8-5-3-2-4-6-9-12/h7,10-12,16,18H,2-6,8-9H2,1H3.
What are the key properties of cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol?
cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol has a molecular weight of 266.36 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 82808519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).