1-(2,4-difluoro-5-methylphenyl)-2,2-dimethylpropan-1-ol

C12H16F2O — CID 79730583

IUPAC1-(2,4-difluoro-5-methylphenyl)-2,2-dimethylpropan-1-ol
SMILESCc1cc(C(O)C(C)(C)C)c(F)cc1F
InChIInChI=1S/C12H16F2O/c1-7-5-8(10(14)6-9(7)13)11(15)12(2,3)4/h5-6,11,15H,1-4H3
InChIKeyPEJDTRDPQZGAMF-UHFFFAOYSA-N
MW214.25 g/mol
LogP3.35
Rot. Bonds1

About 1-(2,4-difluoro-5-methylphenyl)-2,2-dimethylpropan-1-ol

1-(2,4-difluoro-5-methylphenyl)-2,2-dimethylpropan-1-ol (PubChem CID 79730583) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-2,2-dimethylpropan-1-ol
PubChem CID79730583
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-2,2-dimethylpropan-1-ol
SMILESCc1cc(C(O)C(C)(C)C)c(F)cc1F
InChIInChI=1S/C12H16F2O/c1-7-5-8(10(14)6-9(7)13)11(15)12(2,3)4/h5-6,11,15H,1-4H3
InChIKeyPEJDTRDPQZGAMF-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 82759417
1-(2-chloro-4,5-difluorophenyl)-2,2-dimethylpropan-1-ol
CID 107477055
1-adamantyl-(2,4-difluoro-5-methylphenyl)methanol
CID 79726331
(2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol
CID 79731098
1-(2,4-difluoro-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79724270
1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781937
1-(2,4-difluoro-5-methylphenyl)-2-phenylethanol
CID 79731266
1-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2,4-difluoro-5-methylbenzene
CID 103310756
1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 15732089
3-cyclopentyl-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 79730321
1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-difluoro-5-methylbenzene
CID 79730978

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2,2-dimethylpropan-1-ol (CID 79730583) is 1-(2,4-difluoro-5-methylphenyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-2,2-dimethylpropan-1-ol is Cc1cc(C(O)C(C)(C)C)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-2,2-dimethylpropan-1-ol?
The InChIKey is PEJDTRDPQZGAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-7-5-8(10(14)6-9(7)13)11(15)12(2,3)4/h5-6,11,15H,1-4H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-2,2-dimethylpropan-1-ol?
1-(2,4-difluoro-5-methylphenyl)-2,2-dimethylpropan-1-ol has a molecular weight of 214.25 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 79730583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).