2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol

C12H16ClFO2 — CID 117369297

IUPAC2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol
SMILESCOc1c(F)cc(Cl)c(C)c1C(C)(C)CO
InChIInChI=1S/C12H16ClFO2/c1-7-8(13)5-9(14)11(16-4)10(7)12(2,3)6-15/h5,15H,6H2,1-4H3
InChIKeyOXJLFOAIPBCVEN-UHFFFAOYSA-N
MW246.71 g/mol
LogP3.07
Rot. Bonds3

About 2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol

2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol (PubChem CID 117369297) has the molecular formula C12H16ClFO2 and a molecular weight of 246.71 g/mol. Its IUPAC name is 2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol
PubChem CID117369297
Molecular FormulaC12H16ClFO2
Molecular Weight246.71 g/mol
Exact Mass246.08
IUPAC Name2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol
SMILESCOc1c(F)cc(Cl)c(C)c1C(C)(C)CO
InChIInChI=1S/C12H16ClFO2/c1-7-8(13)5-9(14)11(16-4)10(7)12(2,3)6-15/h5,15H,6H2,1-4H3
InChIKeyOXJLFOAIPBCVEN-UHFFFAOYSA-N
XLogP3.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117337246
2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117367449
2-(3-chloro-6-fluoro-2-methoxyphenyl)-2-methylpropan-1-ol
CID 117337251
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117400699
2-(3-fluoro-6-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 117303163
2-(6-fluoro-3-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 117303162
2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 117470259
2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol
CID 117475631
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine
CID 117335610
3-chloro-5-fluoro-2-methoxy-6-methylphenol
CID 84662913
1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene
CID 130224423
2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol
CID 117463241

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol (CID 117369297) is 2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol is COc1c(F)cc(Cl)c(C)c1C(C)(C)CO.
What is the InChIKey of 2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol?
The InChIKey is OXJLFOAIPBCVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO2/c1-7-8(13)5-9(14)11(16-4)10(7)12(2,3)6-15/h5,15H,6H2,1-4H3.
What are the key properties of 2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol?
2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol has a molecular weight of 246.71 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117369297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).