1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol

C13H17ClO2 — CID 103557502

IUPAC1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol
SMILESCOC1(CC(O)c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C13H17ClO2/c1-16-13(7-2-8-13)9-12(15)10-3-5-11(14)6-4-10/h3-6,12,15H,2,7-9H2,1H3
InChIKeyUJCRXICTZSNPFW-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.33
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol

1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol (PubChem CID 103557502) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol
PubChem CID103557502
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol
SMILESCOC1(CC(O)c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C13H17ClO2/c1-16-13(7-2-8-13)9-12(15)10-3-5-11(14)6-4-10/h3-6,12,15H,2,7-9H2,1H3
InChIKeyUJCRXICTZSNPFW-UHFFFAOYSA-N
XLogP3.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557499
2-(1-methoxycyclobutyl)-1-(4-propylphenyl)ethanol
CID 103557531
1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol
CID 103557536
6-[1-hydroxy-2-(1-methoxycyclobutyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 103557518
4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1-fluoro-2-methylbenzene
CID 103557830
1-(3-cyclobutylphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103560284
1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557615
2-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-1,4-dichlorobenzene
CID 103557765
1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557600
2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 103556298
1-(2-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-ol
CID 103560237
1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene
CID 103557717

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol (CID 103557502) is 1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol is COC1(CC(O)c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol?
The InChIKey is UJCRXICTZSNPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-16-13(7-2-8-13)9-12(15)10-3-5-11(14)6-4-10/h3-6,12,15H,2,7-9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol?
1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol has a molecular weight of 240.73 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol is sourced from PubChem (CID 103557502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).