1-(4-cyclopropyloxyphenyl)-2-propoxyethanol

C14H20O3 — CID 114519020

IUPAC1-(4-cyclopropyloxyphenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C14H20O3/c1-2-9-16-10-14(15)11-3-5-12(6-4-11)17-13-7-8-13/h3-6,13-15H,2,7-10H2,1H3
InChIKeyTYLYFUIFSGNKMH-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.69
Rot. Bonds7

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

1-(4-cyclopropyloxyphenyl)-2-propoxyethanol (PubChem CID 114519020) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-2-propoxyethanol.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-2-propoxyethanol
PubChem CID114519020
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-(4-cyclopropyloxyphenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C14H20O3/c1-2-9-16-10-14(15)11-3-5-12(6-4-11)17-13-7-8-13/h3-6,13-15H,2,7-10H2,1H3
InChIKeyTYLYFUIFSGNKMH-UHFFFAOYSA-N
XLogP2.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol
CID 114519068
1-(3-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114521314
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol
CID 114519028
1-(4-cyclopropyloxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927747
1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol
CID 63685305
(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-(3-cyclopropyloxyphenyl)-3-propoxypropan-1-ol
CID 105131518
2-cyclopentyl-1-(4-cyclopropyloxyphenyl)ethanol
CID 115838412
2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol
CID 114520400

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-propoxyethanol?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-propoxyethanol (CID 114519020) is 1-(4-cyclopropyloxyphenyl)-2-propoxyethanol.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-2-propoxyethanol?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-2-propoxyethanol is CCCOCC(O)c1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-2-propoxyethanol?
The InChIKey is TYLYFUIFSGNKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-2-9-16-10-14(15)11-3-5-12(6-4-11)17-13-7-8-13/h3-6,13-15H,2,7-10H2,1H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-2-propoxyethanol?
1-(4-cyclopropyloxyphenyl)-2-propoxyethanol has a molecular weight of 236.31 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-2-propoxyethanol is sourced from PubChem (CID 114519020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).