2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol

C12H16F2O2 — CID 117332377

IUPAC2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
SMILESCOc1ccc(C(F)F)cc1C(C)(C)CO
InChIInChI=1S/C12H16F2O2/c1-12(2,7-15)9-6-8(11(13)14)4-5-10(9)16-3/h4-6,11,15H,7H2,1-3H3
InChIKeyLISPEAWBNXIJFZ-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.90
Rot. Bonds4

About 2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol

2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol (PubChem CID 117332377) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
PubChem CID117332377
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
SMILESCOc1ccc(C(F)F)cc1C(C)(C)CO
InChIInChI=1S/C12H16F2O2/c1-12(2,7-15)9-6-8(11(13)14)4-5-10(9)16-3/h4-6,11,15H,7H2,1-3H3
InChIKeyLISPEAWBNXIJFZ-UHFFFAOYSA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117332372
2-(2-methoxy-5-pentan-3-ylphenyl)-2-methylpropan-1-ol
CID 117379898
2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117373100
3-[5-(1-fluoroethyl)-2-methoxyphenyl]-3-methylbutanoic acid
CID 117389154
2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene
CID 82094101
2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82129591
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 117337255
2-amino-2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanol
CID 84694404
2-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117362497
N-[2-(2-methoxy-5-propan-2-ylphenyl)-2-methylpropyl]acetamide
CID 115191415
1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol (CID 117332377) is 2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol is COc1ccc(C(F)F)cc1C(C)(C)CO.
What is the InChIKey of 2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol?
The InChIKey is LISPEAWBNXIJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-12(2,7-15)9-6-8(11(13)14)4-5-10(9)16-3/h4-6,11,15H,7H2,1-3H3.
What are the key properties of 2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol?
2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol has a molecular weight of 230.25 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117332377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).