1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol

C9H18O3 — CID 116712870

IUPAC1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol
SMILESCCOC(C(O)COC)C1CC1
InChIInChI=1S/C9H18O3/c1-3-12-9(7-4-5-7)8(10)6-11-2/h7-10H,3-6H2,1-2H3
InChIKeyOJYQPEGJOHVARE-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.81
Rot. Bonds6

About 1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol

1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol (PubChem CID 116712870) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol
PubChem CID116712870
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol
SMILESCCOC(C(O)COC)C1CC1
InChIInChI=1S/C9H18O3/c1-3-12-9(7-4-5-7)8(10)6-11-2/h7-10H,3-6H2,1-2H3
InChIKeyOJYQPEGJOHVARE-UHFFFAOYSA-N
XLogP0.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-1,3-dimethoxypropan-2-ol
CID 116712579
1-cyclopropyl-1-ethoxytetradecan-2-ol
CID 116712966
1-cyclobutyl-2-cyclopropyl-2-ethoxyethanol
CID 116712819
1-cyclopropyl-1-ethoxyhept-6-yn-2-ol
CID 116712756
2-cyclopropyl-2-ethoxy-1-(4-ethylcyclohexyl)ethanol
CID 116712860
2-cyclohexyl-1-cyclopentyl-2-ethoxyethanol
CID 116756693
1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 116712818
1-cyclopropyl-1,3-diethoxy-N-methylpropan-2-amine
CID 116723302
1-cyclopropyl-1-ethoxy-3,3-dimethylbutan-2-amine
CID 116723219
1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol
CID 114931734
1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008567
3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol
CID 116732119

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol?
The IUPAC name of 1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol (CID 116712870) is 1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol.
What is the SMILES notation for 1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol?
The canonical SMILES for 1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol is CCOC(C(O)COC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol?
The InChIKey is OJYQPEGJOHVARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-3-12-9(7-4-5-7)8(10)6-11-2/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol?
1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol has a molecular weight of 174.24 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol is sourced from PubChem (CID 116712870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).