2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol

C15H22O3 — CID 116712902

IUPAC2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol
SMILESCCOc1cccc(C(O)C(OCC)C2CC2)c1
InChIInChI=1S/C15H22O3/c1-3-17-13-7-5-6-12(10-13)14(16)15(18-4-2)11-8-9-11/h5-7,10-11,14-16H,3-4,8-9H2,1-2H3
InChIKeyZFOGKVSGAYLOHE-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.93
Rot. Bonds7

About 2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol

2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol (PubChem CID 116712902) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol
PubChem CID116712902
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol
SMILESCCOc1cccc(C(O)C(OCC)C2CC2)c1
InChIInChI=1S/C15H22O3/c1-3-17-13-7-5-6-12(10-13)14(16)15(18-4-2)11-8-9-11/h5-7,10-11,14-16H,3-4,8-9H2,1-2H3
InChIKeyZFOGKVSGAYLOHE-UHFFFAOYSA-N
XLogP2.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxyphenyl)-(4-methylcyclohexyl)methanol
CID 64749184
2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol
CID 116712494
3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide
CID 171868100
3-bromo-1-(3-ethoxyphenyl)propane-1,2-diol
CID 171859918
chloro-(3-ethoxyphenyl)methanol
CID 141156919
2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine
CID 116771298
(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171205660
(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171225239
2-cyclopropyl-1-(2,5-dimethylphenyl)-2-ethoxyethanol
CID 116712968
2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid
CID 66204925
(2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol
CID 107005428
(3-ethoxyphenyl)-(thiolan-3-yl)methanamine
CID 105173284

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol?
The IUPAC name of 2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol (CID 116712902) is 2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol.
What is the SMILES notation for 2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol?
The canonical SMILES for 2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol is CCOc1cccc(C(O)C(OCC)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol?
The InChIKey is ZFOGKVSGAYLOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-3-17-13-7-5-6-12(10-13)14(16)15(18-4-2)11-8-9-11/h5-7,10-11,14-16H,3-4,8-9H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol?
2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol has a molecular weight of 250.34 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol is sourced from PubChem (CID 116712902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).