1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)-2-methoxyethanol

C13H16F2O2 — CID 107512307

IUPAC1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)-2-methoxyethanol
SMILESCOCC(O)(c1ccc(C)c(F)c1F)C1CC1
InChIInChI=1S/C13H16F2O2/c1-8-3-6-10(12(15)11(8)14)13(16,7-17-2)9-4-5-9/h3,6,9,16H,4-5,7H2,1-2H3
InChIKeyJDEIRZRYMYGPKC-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.52
Rot. Bonds4

About 1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)-2-methoxyethanol

1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)-2-methoxyethanol (PubChem CID 107512307) has the molecular formula C13H16F2O2 and a molecular weight of 242.26 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)-2-methoxyethanol.

Molecular Properties

Compound Name1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)-2-methoxyethanol
PubChem CID107512307
Molecular FormulaC13H16F2O2
Molecular Weight242.26 g/mol
Exact Mass242.11
IUPAC Name1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)-2-methoxyethanol
SMILESCOCC(O)(c1ccc(C)c(F)c1F)C1CC1
InChIInChI=1S/C13H16F2O2/c1-8-3-6-10(12(15)11(8)14)13(16,7-17-2)9-4-5-9/h3,6,9,16H,4-5,7H2,1-2H3
InChIKeyJDEIRZRYMYGPKC-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)propan-1-ol
CID 107512247
1-cyclopropyl-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 107128071
2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 117289363
1-cyclopropyl-1-(2,4-dimethylphenyl)propan-1-ol
CID 64919325
1-[difluoro-(4-methylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene
CID 20705610
1-(1-benzofuran-2-yl)-1-cyclopropyl-2-methoxyethanol
CID 114724321
1-[difluoro-(4-propylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene
CID 20576292
1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 64918280
(1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67193967
1-cyclopropyl-1-(2-fluorophenyl)propan-1-ol
CID 64918927
2-(2,3-difluoro-4-methylphenyl)-4-(methylamino)butan-2-ol
CID 107514658
1-[difluoro-[4-(3-fluoropropyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene
CID 20576240

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)-2-methoxyethanol?
The IUPAC name of 1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)-2-methoxyethanol (CID 107512307) is 1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)-2-methoxyethanol.
What is the SMILES notation for 1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)-2-methoxyethanol?
The canonical SMILES for 1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)-2-methoxyethanol is COCC(O)(c1ccc(C)c(F)c1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)-2-methoxyethanol?
The InChIKey is JDEIRZRYMYGPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O2/c1-8-3-6-10(12(15)11(8)14)13(16,7-17-2)9-4-5-9/h3,6,9,16H,4-5,7H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)-2-methoxyethanol?
1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)-2-methoxyethanol has a molecular weight of 242.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)-2-methoxyethanol is sourced from PubChem (CID 107512307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).