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

C12H17FO2 — CID 117303162

IUPAC2-(6-fluoro-3-methoxy-2-methylphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(F)c(C(C)(C)CO)c1C
InChIInChI=1S/C12H17FO2/c1-8-10(15-4)6-5-9(13)11(8)12(2,3)7-14/h5-6,14H,7H2,1-4H3
InChIKeyZJEWRBPFCOBAFV-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.41
Rot. Bonds3

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

2-(6-fluoro-3-methoxy-2-methylphenyl)-2-methylpropan-1-ol (PubChem CID 117303162) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-(6-fluoro-3-methoxy-2-methylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(6-fluoro-3-methoxy-2-methylphenyl)-2-methylpropan-1-ol
PubChem CID117303162
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name2-(6-fluoro-3-methoxy-2-methylphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(F)c(C(C)(C)CO)c1C
InChIInChI=1S/C12H17FO2/c1-8-10(15-4)6-5-9(13)11(8)12(2,3)7-14/h5-6,14H,7H2,1-4H3
InChIKeyZJEWRBPFCOBAFV-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-6-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 117303163
2-(3,6-dimethoxy-2-methylsulfanylphenyl)-2-methylpropan-1-ol
CID 117394664
2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117466981
2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 83686232
2-(3-chloro-6-fluoro-2-methoxyphenyl)-2-methylpropan-1-ol
CID 117337251
2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117369297
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117287928
3-(2-fluoro-3,6-dimethoxyphenyl)-3-methylbutanoic acid
CID 117393930
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 117337255
2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117367449
2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol
CID 117362414

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-methoxy-2-methylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(6-fluoro-3-methoxy-2-methylphenyl)-2-methylpropan-1-ol (CID 117303162) is 2-(6-fluoro-3-methoxy-2-methylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(6-fluoro-3-methoxy-2-methylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(6-fluoro-3-methoxy-2-methylphenyl)-2-methylpropan-1-ol is COc1ccc(F)c(C(C)(C)CO)c1C.
What is the InChIKey of 2-(6-fluoro-3-methoxy-2-methylphenyl)-2-methylpropan-1-ol?
The InChIKey is ZJEWRBPFCOBAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-8-10(15-4)6-5-9(13)11(8)12(2,3)7-14/h5-6,14H,7H2,1-4H3.
What are the key properties of 2-(6-fluoro-3-methoxy-2-methylphenyl)-2-methylpropan-1-ol?
2-(6-fluoro-3-methoxy-2-methylphenyl)-2-methylpropan-1-ol has a molecular weight of 212.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3-methoxy-2-methylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117303162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).