1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol

C13H18O3 — CID 114519068

IUPAC1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol
SMILESCCOCC(O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C13H18O3/c1-2-15-9-13(14)10-3-5-11(6-4-10)16-12-7-8-12/h3-6,12-14H,2,7-9H2,1H3
InChIKeyFVWSGQOWQLZUFB-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.30
Rot. Bonds6

About 1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol

1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol (PubChem CID 114519068) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol
PubChem CID114519068
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol
SMILESCCOCC(O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C13H18O3/c1-2-15-9-13(14)10-3-5-11(6-4-10)16-12-7-8-12/h3-6,12-14H,2,7-9H2,1H3
InChIKeyFVWSGQOWQLZUFB-UHFFFAOYSA-N
XLogP2.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114519020
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol
CID 114519028
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502
1-(4-cyclopropyloxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 114519008
2-butan-2-ylsulfanyl-1-(4-cyclopropyloxyphenyl)ethanol
CID 114519052
1-(4-cyclopropyloxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927747
2-cyclopentyl-1-(4-cyclopropyloxyphenyl)ethanol
CID 115838412
2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 79566446
2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol
CID 114520400
1-(3-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114521314
cyclobutyl-(4-cyclopropyloxyphenyl)methanol
CID 114518671

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol (CID 114519068) is 1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol is CCOCC(O)c1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol?
The InChIKey is FVWSGQOWQLZUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-2-15-9-13(14)10-3-5-11(6-4-10)16-12-7-8-12/h3-6,12-14H,2,7-9H2,1H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol?
1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol has a molecular weight of 222.28 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol is sourced from PubChem (CID 114519068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).