3,4-dimethylphenol;hydrofluoride

C8H11FO — CID 163210270

IUPAC3,4-dimethylphenol;hydrofluoride
SMILESCc1ccc(O)cc1C.F
InChIInChI=1S/C8H10O.FH/c1-6-3-4-8(9)5-7(6)2;/h3-5,9H,1-2H3;1H
InChIKeyCNWZGBJFHZROFF-UHFFFAOYSA-N
MW142.17 g/mol
LogP2.16
Rot. Bonds

About 3,4-dimethylphenol;hydrofluoride

3,4-dimethylphenol;hydrofluoride (PubChem CID 163210270) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 3,4-dimethylphenol;hydrofluoride.

Molecular Properties

Compound Name3,4-dimethylphenol;hydrofluoride
PubChem CID163210270
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name3,4-dimethylphenol;hydrofluoride
SMILESCc1ccc(O)cc1C.F
InChIInChI=1S/C8H10O.FH/c1-6-3-4-8(9)5-7(6)2;/h3-5,9H,1-2H3;1H
InChIKeyCNWZGBJFHZROFF-UHFFFAOYSA-N
XLogP2.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-4-methylphenol
CID 14853
3-tert-butyl-4-methylphenol
CID 13130216
CID 67130957
CID 67130957
3-methyl-4-[tris(4-hydroxy-2-methylphenyl)methyl]phenol
CID 153325022
benzene-1,4-diol;bis(1,2-xylene)
CID 175366536
2-(3,4-dimethylphenyl)-6-methylbenzene-1,4-diol
CID 101299157
4-(3-hydroxypropyl)-3-methylphenol
CID 117276402
3-hydrazinyl-4-methylphenol
CID 130980882
3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol
CID 101301765
4-[4-(4-hydroxy-2-methylphenyl)furan-3-yl]-3-methylphenol
CID 71625173
4-chloro-3-methylphenol;4-chlorophenol
CID 70419775
2-chlorobenzene-1,4-diol;2-methylbenzene-1,4-diol
CID 157388501

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylphenol;hydrofluoride?
The IUPAC name of 3,4-dimethylphenol;hydrofluoride (CID 163210270) is 3,4-dimethylphenol;hydrofluoride.
What is the SMILES notation for 3,4-dimethylphenol;hydrofluoride?
The canonical SMILES for 3,4-dimethylphenol;hydrofluoride is Cc1ccc(O)cc1C.F.
What is the InChIKey of 3,4-dimethylphenol;hydrofluoride?
The InChIKey is CNWZGBJFHZROFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.FH/c1-6-3-4-8(9)5-7(6)2;/h3-5,9H,1-2H3;1H.
What are the key properties of 3,4-dimethylphenol;hydrofluoride?
3,4-dimethylphenol;hydrofluoride has a molecular weight of 142.17 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylphenol;hydrofluoride is sourced from PubChem (CID 163210270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).