(4-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanol

C16H23FO2 — CID 81304806

IUPAC(4-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanol
SMILESCCC1CCC(C(O)c2ccc(OC)cc2F)CC1
InChIInChI=1S/C16H23FO2/c1-3-11-4-6-12(7-5-11)16(18)14-9-8-13(19-2)10-15(14)17/h8-12,16,18H,3-7H2,1-2H3
InChIKeyFJDNRAQZXHTTIQ-UHFFFAOYSA-N
MW266.36 g/mol
LogP4.08
Rot. Bonds4

About (4-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanol

(4-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanol (PubChem CID 81304806) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanol
PubChem CID81304806
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Name(4-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanol
SMILESCCC1CCC(C(O)c2ccc(OC)cc2F)CC1
InChIInChI=1S/C16H23FO2/c1-3-11-4-6-12(7-5-11)16(18)14-9-8-13(19-2)10-15(14)17/h8-12,16,18H,3-7H2,1-2H3
InChIKeyFJDNRAQZXHTTIQ-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanol
CID 65411524
(4-ethylcyclohexyl)-(2-fluorophenyl)methanol
CID 64749746
(4-ethylcyclohexyl)-(4-methoxyphenyl)methanol
CID 64749359
(4-ethylcyclohexyl)-(3-methoxyphenyl)methanol
CID 64749539
(4-methoxy-2-methylphenyl)-(4-propylcyclohexyl)methanol
CID 65423725
(2,4-difluoro-5-methylphenyl)-(4-ethylcyclohexyl)methanol
CID 115807295
(1R,2S)-2-amino-1-cyclopropyl-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 171161417
(3-ethylcyclopentyl)-(4-methoxyphenyl)methanol
CID 65409565
1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
CID 102876292
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol
CID 81304350
cyclopropyl-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61099955

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanol?
The IUPAC name of (4-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanol (CID 81304806) is (4-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for (4-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanol?
The canonical SMILES for (4-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanol is CCC1CCC(C(O)c2ccc(OC)cc2F)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanol?
The InChIKey is FJDNRAQZXHTTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2/c1-3-11-4-6-12(7-5-11)16(18)14-9-8-13(19-2)10-15(14)17/h8-12,16,18H,3-7H2,1-2H3.
What are the key properties of (4-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanol?
(4-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanol has a molecular weight of 266.36 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 81304806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).