1-(3-cyclopropyloxyphenyl)-2-propoxyethanol

C14H20O3 — CID 114521314

IUPAC1-(3-cyclopropyloxyphenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1cccc(OC2CC2)c1
InChIInChI=1S/C14H20O3/c1-2-8-16-10-14(15)11-4-3-5-13(9-11)17-12-6-7-12/h3-5,9,12,14-15H,2,6-8,10H2,1H3
InChIKeyOQRSYLSEASSVPI-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.69
Rot. Bonds7

About 1-(3-cyclopropyloxyphenyl)-2-propoxyethanol

1-(3-cyclopropyloxyphenyl)-2-propoxyethanol (PubChem CID 114521314) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-2-propoxyethanol.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-2-propoxyethanol
PubChem CID114521314
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-(3-cyclopropyloxyphenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1cccc(OC2CC2)c1
InChIInChI=1S/C14H20O3/c1-2-8-16-10-14(15)11-4-3-5-13(9-11)17-12-6-7-12/h3-5,9,12,14-15H,2,6-8,10H2,1H3
InChIKeyOQRSYLSEASSVPI-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-(3-cyclopropyloxyphenyl)-3-propoxypropan-1-ol
CID 105131518
1-(4-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114519020
1-(3-cyclopropyloxyphenyl)-4-ethoxybutan-1-ol
CID 105131562
1-(3-cyclopropyloxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105131484
2-ethoxy-1-(3-propoxyphenyl)ethanol
CID 79567661
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103170310
1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)ethanol
CID 114521316
1-[3-(difluoromethyl)phenyl]-2-propoxyethanol
CID 115527685
1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol
CID 115838526
1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol
CID 114519068
ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate
CID 117415048
N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine
CID 114521822

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-propoxyethanol?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-propoxyethanol (CID 114521314) is 1-(3-cyclopropyloxyphenyl)-2-propoxyethanol.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-2-propoxyethanol?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-2-propoxyethanol is CCCOCC(O)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-2-propoxyethanol?
The InChIKey is OQRSYLSEASSVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-2-8-16-10-14(15)11-4-3-5-13(9-11)17-12-6-7-12/h3-5,9,12,14-15H,2,6-8,10H2,1H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-2-propoxyethanol?
1-(3-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-(3-cyclopropyloxyphenyl)-2-propoxyethanol is sourced from PubChem (CID 114521314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).