1-(1-methoxycyclobutyl)-2-phenylethanol

C13H18O2 — CID 116710482

IUPAC1-(1-methoxycyclobutyl)-2-phenylethanol
SMILESCOC1(C(O)Cc2ccccc2)CCC1
InChIInChI=1S/C13H18O2/c1-15-13(8-5-9-13)12(14)10-11-6-3-2-4-7-11/h2-4,6-7,12,14H,5,8-10H2,1H3
InChIKeyJZWWGBQXTZHCEB-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.16
Rot. Bonds4

About 1-(1-methoxycyclobutyl)-2-phenylethanol

1-(1-methoxycyclobutyl)-2-phenylethanol (PubChem CID 116710482) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-2-phenylethanol.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-2-phenylethanol
PubChem CID116710482
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name1-(1-methoxycyclobutyl)-2-phenylethanol
SMILESCOC1(C(O)Cc2ccccc2)CCC1
InChIInChI=1S/C13H18O2/c1-15-13(8-5-9-13)12(14)10-11-6-3-2-4-7-11/h2-4,6-7,12,14H,5,8-10H2,1H3
InChIKeyJZWWGBQXTZHCEB-UHFFFAOYSA-N
XLogP2.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-1-(1-methoxycyclopentyl)ethanol
CID 104610295
1-(1-methoxycycloheptyl)-3-phenylpropan-1-ol
CID 116755787
2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753460
1-(1-methoxycyclopentyl)-2-pyridin-2-ylethanol
CID 104610358
1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol
CID 116754684
2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 116755817
1-(1-methoxycyclohexyl)-2-thiophen-2-ylethanol
CID 116753410
1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol
CID 116755920
1-[1-(dimethylamino)cyclopentyl]-2-phenylethanol
CID 79067226
2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755700
2-phenyl-1-(1-phenylcyclopentyl)ethanol
CID 63080283
2-(2,3-dichlorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 107308285

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-2-phenylethanol?
The IUPAC name of 1-(1-methoxycyclobutyl)-2-phenylethanol (CID 116710482) is 1-(1-methoxycyclobutyl)-2-phenylethanol.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-2-phenylethanol?
The canonical SMILES for 1-(1-methoxycyclobutyl)-2-phenylethanol is COC1(C(O)Cc2ccccc2)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-2-phenylethanol?
The InChIKey is JZWWGBQXTZHCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-15-13(8-5-9-13)12(14)10-11-6-3-2-4-7-11/h2-4,6-7,12,14H,5,8-10H2,1H3.
What are the key properties of 1-(1-methoxycyclobutyl)-2-phenylethanol?
1-(1-methoxycyclobutyl)-2-phenylethanol has a molecular weight of 206.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-2-phenylethanol is sourced from PubChem (CID 116710482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).