1-(4-cyclopropyloxyphenyl)-3-(2-methoxyethoxy)propan-1-ol

C15H22O4 — CID 102927747

IUPAC1-(4-cyclopropyloxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
SMILESCOCCOCCC(O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C15H22O4/c1-17-10-11-18-9-8-15(16)12-2-4-13(5-3-12)19-14-6-7-14/h2-5,14-16H,6-11H2,1H3
InChIKeyRBMRSGGANUDQJU-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.31
Rot. Bonds9

About 1-(4-cyclopropyloxyphenyl)-3-(2-methoxyethoxy)propan-1-ol

1-(4-cyclopropyloxyphenyl)-3-(2-methoxyethoxy)propan-1-ol (PubChem CID 102927747) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-3-(2-methoxyethoxy)propan-1-ol.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
PubChem CID102927747
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1-(4-cyclopropyloxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
SMILESCOCCOCCC(O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C15H22O4/c1-17-10-11-18-9-8-15(16)12-2-4-13(5-3-12)19-14-6-7-14/h2-5,14-16H,6-11H2,1H3
InChIKeyRBMRSGGANUDQJU-UHFFFAOYSA-N
XLogP2.31
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol
CID 114519068
1-(4-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114519020
1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol
CID 114519028
1-(4-cyclopropyloxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 114519008
1-(3-cyclopropyloxyphenyl)-3-propoxypropan-1-ol
CID 105131518
1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine
CID 114519451
2-cyclopentyl-1-(4-cyclopropyloxyphenyl)ethanol
CID 115838412
2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol
CID 114520400
2-[2-(2-methoxyethoxy)ethoxy]-1-(4-propan-2-yloxyphenyl)ethanol
CID 104564711
cyclobutyl-(4-cyclopropyloxyphenyl)methanol
CID 114518671
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-3-(2-methoxyethoxy)propan-1-ol?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-3-(2-methoxyethoxy)propan-1-ol (CID 102927747) is 1-(4-cyclopropyloxyphenyl)-3-(2-methoxyethoxy)propan-1-ol.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-3-(2-methoxyethoxy)propan-1-ol?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-3-(2-methoxyethoxy)propan-1-ol is COCCOCCC(O)c1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-3-(2-methoxyethoxy)propan-1-ol?
The InChIKey is RBMRSGGANUDQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-17-10-11-18-9-8-15(16)12-2-4-13(5-3-12)19-14-6-7-14/h2-5,14-16H,6-11H2,1H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-3-(2-methoxyethoxy)propan-1-ol?
1-(4-cyclopropyloxyphenyl)-3-(2-methoxyethoxy)propan-1-ol has a molecular weight of 266.34 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-3-(2-methoxyethoxy)propan-1-ol is sourced from PubChem (CID 102927747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).