2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol

C12H16F2O3 — CID 117367449

IUPAC2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1c(F)cc(F)c(C(C)(C)CO)c1OC
InChIInChI=1S/C12H16F2O3/c1-12(2,6-15)9-7(13)5-8(14)10(16-3)11(9)17-4/h5,15H,6H2,1-4H3
InChIKeySLWDQACQPRSGKS-UHFFFAOYSA-N
MW246.25 g/mol
LogP2.25
Rot. Bonds4

About 2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol

2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol (PubChem CID 117367449) has the molecular formula C12H16F2O3 and a molecular weight of 246.25 g/mol. Its IUPAC name is 2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
PubChem CID117367449
Molecular FormulaC12H16F2O3
Molecular Weight246.25 g/mol
Exact Mass246.11
IUPAC Name2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1c(F)cc(F)c(C(C)(C)CO)c1OC
InChIInChI=1S/C12H16F2O3/c1-12(2,6-15)9-7(13)5-8(14)10(16-3)11(9)17-4/h5,15H,6H2,1-4H3
InChIKeySLWDQACQPRSGKS-UHFFFAOYSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117369297
2-(3-chloro-6-fluoro-2-methoxyphenyl)-2-methylpropan-1-ol
CID 117337251
2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol
CID 117475631
2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol
CID 117362414
2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 117470259
2-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117409979
5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117472984
3-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2-methoxybenzonitrile
CID 117319522
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117400699
3-(3,5-difluoro-2,6-dimethoxyphenyl)-3-methylbutanoic acid
CID 117437977
2-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117362497
3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117290714

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol (CID 117367449) is 2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol is COc1c(F)cc(F)c(C(C)(C)CO)c1OC.
What is the InChIKey of 2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is SLWDQACQPRSGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O3/c1-12(2,6-15)9-7(13)5-8(14)10(16-3)11(9)17-4/h5,15H,6H2,1-4H3.
What are the key properties of 2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol?
2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 246.25 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117367449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).