1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)propan-1-ol

C13H16F2O — CID 107512247

IUPAC1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)propan-1-ol
SMILESCCC(O)(c1ccc(C)c(F)c1F)C1CC1
InChIInChI=1S/C13H16F2O/c1-3-13(16,9-5-6-9)10-7-4-8(2)11(14)12(10)15/h4,7,9,16H,3,5-6H2,1-2H3
InChIKeyYMDRLRXAKYHMIH-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.28
Rot. Bonds3

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

1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)propan-1-ol (PubChem CID 107512247) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)propan-1-ol
PubChem CID107512247
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)propan-1-ol
SMILESCCC(O)(c1ccc(C)c(F)c1F)C1CC1
InChIInChI=1S/C13H16F2O/c1-3-13(16,9-5-6-9)10-7-4-8(2)11(14)12(10)15/h4,7,9,16H,3,5-6H2,1-2H3
InChIKeyYMDRLRXAKYHMIH-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)-2-methoxyethanol
CID 107512307
1-cyclopropyl-1-(2,4-dimethylphenyl)propan-1-ol
CID 64919325
1-cyclopropyl-1-(2-fluorophenyl)propan-1-ol
CID 64918927
1-cyclopropyl-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 107128071
1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 64918280
1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol
CID 112679495
2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 117289363
1-[difluoro-(4-propylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene
CID 20576292
1-(1-benzothiophen-7-yl)-1-cyclopropylpropan-1-ol
CID 81141940
2-(2,3-difluoro-4-methylphenyl)-4-(methylamino)butan-2-ol
CID 107514658
1-cyclopropyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 114276092
1-[difluoro-(4-methylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene
CID 20705610

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)propan-1-ol?
The IUPAC name of 1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)propan-1-ol (CID 107512247) is 1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)propan-1-ol?
The canonical SMILES for 1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)propan-1-ol is CCC(O)(c1ccc(C)c(F)c1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)propan-1-ol?
The InChIKey is YMDRLRXAKYHMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c1-3-13(16,9-5-6-9)10-7-4-8(2)11(14)12(10)15/h4,7,9,16H,3,5-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)propan-1-ol?
1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)propan-1-ol has a molecular weight of 226.27 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)propan-1-ol is sourced from PubChem (CID 107512247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).