[5-(difluoromethyl)-2-methylphenyl]methanol

C9H10F2O — CID 84654342

IUPAC[5-(difluoromethyl)-2-methylphenyl]methanol
SMILESCc1ccc(C(F)F)cc1CO
InChIInChI=1S/C9H10F2O/c1-6-2-3-7(9(10)11)4-8(6)5-12/h2-4,9,12H,5H2,1H3
InChIKeyDKFXDFDVFJGIQU-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.42
Rot. Bonds2

About [5-(difluoromethyl)-2-methylphenyl]methanol

[5-(difluoromethyl)-2-methylphenyl]methanol (PubChem CID 84654342) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is [5-(difluoromethyl)-2-methylphenyl]methanol.

Molecular Properties

Compound Name[5-(difluoromethyl)-2-methylphenyl]methanol
PubChem CID84654342
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name[5-(difluoromethyl)-2-methylphenyl]methanol
SMILESCc1ccc(C(F)F)cc1CO
InChIInChI=1S/C9H10F2O/c1-6-2-3-7(9(10)11)4-8(6)5-12/h2-4,9,12H,5H2,1H3
InChIKeyDKFXDFDVFJGIQU-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[5-(fluoromethyl)-2-methylphenyl]methanol
CID 84649942
1-[2-[5-(difluoromethyl)-2-methylphenyl]ethyl]cyclopropan-1-amine
CID 105483026
4-(difluoromethyl)-1-ethyl-2-methylbenzene
CID 89190033
2-[5-(difluoromethyl)-2-methylphenyl]propan-1-amine
CID 117288683
[5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol
CID 84658586
2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine
CID 117351246
1-[5-(1-fluoroethyl)-2-methylphenyl]-2-methylpropan-2-amine
CID 117299425
(2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
CID 158726026
1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol
CID 117292369
(2-methyl-5-propan-2-ylphenyl)methanethiol
CID 21131530
3-[5-(difluoromethyl)-2-methylphenyl]butanoic acid
CID 84691802
2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid
CID 117305155

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-2-methylphenyl]methanol?
The IUPAC name of [5-(difluoromethyl)-2-methylphenyl]methanol (CID 84654342) is [5-(difluoromethyl)-2-methylphenyl]methanol.
What is the SMILES notation for [5-(difluoromethyl)-2-methylphenyl]methanol?
The canonical SMILES for [5-(difluoromethyl)-2-methylphenyl]methanol is Cc1ccc(C(F)F)cc1CO.
What is the InChIKey of [5-(difluoromethyl)-2-methylphenyl]methanol?
The InChIKey is DKFXDFDVFJGIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O/c1-6-2-3-7(9(10)11)4-8(6)5-12/h2-4,9,12H,5H2,1H3.
What are the key properties of [5-(difluoromethyl)-2-methylphenyl]methanol?
[5-(difluoromethyl)-2-methylphenyl]methanol has a molecular weight of 172.17 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-2-methylphenyl]methanol is sourced from PubChem (CID 84654342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).