2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol

C16H24O3 — CID 103170186

IUPAC2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol
SMILESCCOc1cccc(C(O)CC2CC(OCC)C2)c1
InChIInChI=1S/C16H24O3/c1-3-18-14-7-5-6-13(11-14)16(17)10-12-8-15(9-12)19-4-2/h5-7,11-12,15-17H,3-4,8-10H2,1-2H3
InChIKeyYIGMQCAFQCOQCH-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.32
Rot. Bonds7

About 2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol

2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol (PubChem CID 103170186) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol
PubChem CID103170186
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol
SMILESCCOc1cccc(C(O)CC2CC(OCC)C2)c1
InChIInChI=1S/C16H24O3/c1-3-18-14-7-5-6-13(11-14)16(17)10-12-8-15(9-12)19-4-2/h5-7,11-12,15-17H,3-4,8-10H2,1-2H3
InChIKeyYIGMQCAFQCOQCH-UHFFFAOYSA-N
XLogP3.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103170310
1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165377
2-(3-ethoxycyclobutyl)-1-(4-propan-2-ylphenyl)ethanol
CID 103165426
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169721
2-cyclopentyl-1-(3-propoxyphenyl)ethanol
CID 65146182
2-(3-ethoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 103169245
1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103170312
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598
2-(3-ethoxycyclobutyl)-1-(2-methoxyphenyl)ethanol
CID 103169884
1-(3-ethoxyphenyl)-4-methoxypentan-1-ol
CID 105119501
[1-(3-chlorophenyl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170410

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol (CID 103170186) is 2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol is CCOc1cccc(C(O)CC2CC(OCC)C2)c1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol?
The InChIKey is YIGMQCAFQCOQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-18-14-7-5-6-13(11-14)16(17)10-12-8-15(9-12)19-4-2/h5-7,11-12,15-17H,3-4,8-10H2,1-2H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol?
2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol has a molecular weight of 264.37 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-1-(3-ethoxyphenyl)ethanol is sourced from PubChem (CID 103170186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).