2-cyclopropyl-2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)ethanol

C16H24O3 — CID 116712960

IUPAC2-cyclopropyl-2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)ethanol
SMILESCCOC(C1CC1)C(O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C16H24O3/c1-5-19-16(12-6-7-12)15(17)13-8-11(3)14(18-4)9-10(13)2/h8-9,12,15-17H,5-7H2,1-4H3
InChIKeyURZGYGDHOBJNGC-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.16
Rot. Bonds6

About 2-cyclopropyl-2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)ethanol

2-cyclopropyl-2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)ethanol (PubChem CID 116712960) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-cyclopropyl-2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)ethanol
PubChem CID116712960
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2-cyclopropyl-2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)ethanol
SMILESCCOC(C1CC1)C(O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C16H24O3/c1-5-19-16(12-6-7-12)15(17)13-8-11(3)14(18-4)9-10(13)2/h8-9,12,15-17H,5-7H2,1-4H3
InChIKeyURZGYGDHOBJNGC-UHFFFAOYSA-N
XLogP3.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-(2,5-dimethylphenyl)-2-ethoxyethanol
CID 116712968
ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate
CID 171866438
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol
CID 82049139
2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 83927786
2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol
CID 116712902
3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 115831293
2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 103547609
2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-1-ol
CID 116752360
1-(4-methoxy-2,5-dimethylphenyl)-4-(methylamino)butane-1,2-diol
CID 171890556
[2,2-diethoxy-1-(4-methoxy-2,5-dimethylphenyl)ethyl]hydrazine
CID 105246520
N-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-(thian-4-yl)ethanamine
CID 105179151

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)ethanol?
The IUPAC name of 2-cyclopropyl-2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)ethanol (CID 116712960) is 2-cyclopropyl-2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-cyclopropyl-2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-cyclopropyl-2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)ethanol is CCOC(C1CC1)C(O)c1cc(C)c(OC)cc1C.
What is the InChIKey of 2-cyclopropyl-2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)ethanol?
The InChIKey is URZGYGDHOBJNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-19-16(12-6-7-12)15(17)13-8-11(3)14(18-4)9-10(13)2/h8-9,12,15-17H,5-7H2,1-4H3.
What are the key properties of 2-cyclopropyl-2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)ethanol?
2-cyclopropyl-2-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)ethanol has a molecular weight of 264.37 g/mol, XLogP of 3.16, 6 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-(4-methoxy-2,5-dimethylphenyl)ethanol is sourced from PubChem (CID 116712960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).