2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-1-ol

C13H18F2O3 — CID 117404587

IUPAC2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-1-ol
SMILESCOc1cc(C(C)(C)CO)cc(C(F)F)c1OC
InChIInChI=1S/C13H18F2O3/c1-13(2,7-16)8-5-9(12(14)15)11(18-4)10(6-8)17-3/h5-6,12,16H,7H2,1-4H3
InChIKeyKRPWUAWOYYRAJJ-UHFFFAOYSA-N
MW260.28 g/mol
LogP2.91
Rot. Bonds5

About 2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-1-ol

2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-1-ol (PubChem CID 117404587) has the molecular formula C13H18F2O3 and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-1-ol
PubChem CID117404587
Molecular FormulaC13H18F2O3
Molecular Weight260.28 g/mol
Exact Mass260.12
IUPAC Name2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-1-ol
SMILESCOc1cc(C(C)(C)CO)cc(C(F)F)c1OC
InChIInChI=1S/C13H18F2O3/c1-13(2,7-16)8-5-9(12(14)15)11(18-4)10(6-8)17-3/h5-6,12,16H,7H2,1-4H3
InChIKeyKRPWUAWOYYRAJJ-UHFFFAOYSA-N
XLogP2.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethoxybenzaldehyde
CID 117349266
2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol
CID 117384454
2-amino-1-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethanol
CID 117406771
N-[[3-(difluoromethyl)-4,5-dimethoxyphenyl]methyl]hydroxylamine
CID 117337441
2-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117389314
2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid
CID 117421670
2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 83686232
2-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propan-1-amine
CID 117391698
1-bromo-1-(3,4,5-trimethoxyphenyl)ethanol
CID 175796351
1-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117406783
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 117349580
2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-oxoacetic acid
CID 117404185

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-1-ol (CID 117404587) is 2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-1-ol is COc1cc(C(C)(C)CO)cc(C(F)F)c1OC.
What is the InChIKey of 2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-1-ol?
The InChIKey is KRPWUAWOYYRAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O3/c1-13(2,7-16)8-5-9(12(14)15)11(18-4)10(6-8)17-3/h5-6,12,16H,7H2,1-4H3.
What are the key properties of 2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-1-ol?
2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-1-ol has a molecular weight of 260.28 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117404587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).