(4,5-difluoro-2-methylphenyl)methanol;ethane

C12H20F2O — CID 154686336

IUPAC(4,5-difluoro-2-methylphenyl)methanol;ethane
SMILESCC.CC.Cc1cc(F)c(F)cc1CO
InChIInChI=1S/C8H8F2O.2C2H6/c1-5-2-7(9)8(10)3-6(5)4-11;2*1-2/h2-3,11H,4H2,1H3;2*1-2H3
InChIKeyGMBOMEGVQXIMOY-UHFFFAOYSA-N
MW218.29 g/mol
LogP3.82
Rot. Bonds1

About (4,5-difluoro-2-methylphenyl)methanol;ethane

(4,5-difluoro-2-methylphenyl)methanol;ethane (PubChem CID 154686336) has the molecular formula C12H20F2O and a molecular weight of 218.29 g/mol. Its IUPAC name is (4,5-difluoro-2-methylphenyl)methanol;ethane.

Molecular Properties

Compound Name(4,5-difluoro-2-methylphenyl)methanol;ethane
PubChem CID154686336
Molecular FormulaC12H20F2O
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name(4,5-difluoro-2-methylphenyl)methanol;ethane
SMILESCC.CC.Cc1cc(F)c(F)cc1CO
InChIInChI=1S/C8H8F2O.2C2H6/c1-5-2-7(9)8(10)3-6(5)4-11;2*1-2/h2-3,11H,4H2,1H3;2*1-2H3
InChIKeyGMBOMEGVQXIMOY-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;(5-fluoro-2,4-dimethylphenyl)methanol
CID 154686554
(5-ethyl-4-fluoro-2-methylphenyl)methanol
CID 117276635
1,2-difluoro-4-(fluoromethyl)-5-methylbenzene
CID 130909757
(5-bromo-2,4-dimethylphenyl)methanol;ethane
CID 176929029
(2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
CID 158726026
1-[4,5-difluoro-2-(hydroxymethyl)phenyl]ethanol
CID 117281002
(4-bromo-2,5-dimethylphenyl)methanol
CID 23584045
[2-(2-aminopropyl)-4,5-difluorophenyl]methanol
CID 117289921
(2-bromo-3-fluoro-5,6-dimethylphenyl)methanol
CID 84696348
3-(2,5-difluoro-4-methylphenyl)propan-1-ol
CID 117280446
(4-fluoro-1-methylnaphthalen-2-yl)methanol
CID 130126429
2-(4-amino-5-fluoro-2-methylphenyl)acetic acid
CID 91755197

Frequently Asked Questions

What is the IUPAC name of (4,5-difluoro-2-methylphenyl)methanol;ethane?
The IUPAC name of (4,5-difluoro-2-methylphenyl)methanol;ethane (CID 154686336) is (4,5-difluoro-2-methylphenyl)methanol;ethane.
What is the SMILES notation for (4,5-difluoro-2-methylphenyl)methanol;ethane?
The canonical SMILES for (4,5-difluoro-2-methylphenyl)methanol;ethane is CC.CC.Cc1cc(F)c(F)cc1CO.
What is the InChIKey of (4,5-difluoro-2-methylphenyl)methanol;ethane?
The InChIKey is GMBOMEGVQXIMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O.2C2H6/c1-5-2-7(9)8(10)3-6(5)4-11;2*1-2/h2-3,11H,4H2,1H3;2*1-2H3.
What are the key properties of (4,5-difluoro-2-methylphenyl)methanol;ethane?
(4,5-difluoro-2-methylphenyl)methanol;ethane has a molecular weight of 218.29 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-difluoro-2-methylphenyl)methanol;ethane is sourced from PubChem (CID 154686336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).