1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol

C13H18O3 — CID 63907448

IUPAC1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol
SMILESCOc1cc(C)ccc1OCC(O)C1CC1
InChIInChI=1S/C13H18O3/c1-9-3-6-12(13(7-9)15-2)16-8-11(14)10-4-5-10/h3,6-7,10-11,14H,4-5,8H2,1-2H3
InChIKeyUMJWUQQDDXMGSH-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.15
Rot. Bonds5

About 1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol

1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol (PubChem CID 63907448) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol
PubChem CID63907448
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol
SMILESCOc1cc(C)ccc1OCC(O)C1CC1
InChIInChI=1S/C13H18O3/c1-9-3-6-12(13(7-9)15-2)16-8-11(14)10-4-5-10/h3,6-7,10-11,14H,4-5,8H2,1-2H3
InChIKeyUMJWUQQDDXMGSH-UHFFFAOYSA-N
XLogP2.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-(2-methoxy-4-methylphenoxy)ethanol
CID 104753531
1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol
CID 63907048
(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol
CID 58551347
1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine
CID 104748636
1-cyclopentyl-2-(2-methoxyphenoxy)ethanol
CID 113449278
2-(2-methoxy-5-methylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 62159658
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethanol
CID 64987117
2-(2,4-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753451
1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 62265588
1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 109414138
3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 65185180
1-cyclopropyl-2-[1-(2-methoxy-4-methylphenyl)ethylamino]ethanol
CID 55171592

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol?
The IUPAC name of 1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol (CID 63907448) is 1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol is COc1cc(C)ccc1OCC(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol?
The InChIKey is UMJWUQQDDXMGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9-3-6-12(13(7-9)15-2)16-8-11(14)10-4-5-10/h3,6-7,10-11,14H,4-5,8H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol?
1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol has a molecular weight of 222.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol is sourced from PubChem (CID 63907448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).