1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol

C15H20ClFO2 — CID 103165503

IUPAC1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol
SMILESCCOC1CC(CC(O)c2cc(C)c(F)cc2Cl)C1
InChIInChI=1S/C15H20ClFO2/c1-3-19-11-5-10(6-11)7-15(18)12-4-9(2)14(17)8-13(12)16/h4,8,10-11,15,18H,3,5-7H2,1-2H3
InChIKeyZZGMAKCZWDJRSB-UHFFFAOYSA-N
MW286.77 g/mol
LogP4.03
Rot. Bonds5

About 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol

1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol (PubChem CID 103165503) has the molecular formula C15H20ClFO2 and a molecular weight of 286.77 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol
PubChem CID103165503
Molecular FormulaC15H20ClFO2
Molecular Weight286.77 g/mol
Exact Mass286.11
IUPAC Name1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol
SMILESCCOC1CC(CC(O)c2cc(C)c(F)cc2Cl)C1
InChIInChI=1S/C15H20ClFO2/c1-3-19-11-5-10(6-11)7-15(18)12-4-9(2)14(17)8-13(12)16/h4,8,10-11,15,18H,3,5-7H2,1-2H3
InChIKeyZZGMAKCZWDJRSB-UHFFFAOYSA-N
XLogP4.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165491
1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 81045937
1-(2-chloro-4-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 81045782
2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 103170158
1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165377
1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol
CID 81046025
1-(2-chloro-4,5-difluorophenyl)-2-cyclobutylethanol
CID 107477114
2-(3-ethoxycyclobutyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 103168825
2-(3-ethoxycyclobutyl)-1-(4-propan-2-ylphenyl)ethanol
CID 103165426
2-(3-ethoxycyclobutyl)-1-(2-methoxyphenyl)ethanol
CID 103169884
1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 107562011
1-(2,6-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol
CID 103166461

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol?
The IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol (CID 103165503) is 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol.
What is the SMILES notation for 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol?
The canonical SMILES for 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol is CCOC1CC(CC(O)c2cc(C)c(F)cc2Cl)C1.
What is the InChIKey of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol?
The InChIKey is ZZGMAKCZWDJRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO2/c1-3-19-11-5-10(6-11)7-15(18)12-4-9(2)14(17)8-13(12)16/h4,8,10-11,15,18H,3,5-7H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol?
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol has a molecular weight of 286.77 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol is sourced from PubChem (CID 103165503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).