2-fluoro-5-methoxy-3,4-dimethylphenol

C9H11FO2 — CID 10607234

IUPAC2-fluoro-5-methoxy-3,4-dimethylphenol
SMILESCOc1cc(O)c(F)c(C)c1C
InChIInChI=1S/C9H11FO2/c1-5-6(2)9(10)7(11)4-8(5)12-3/h4,11H,1-3H3
InChIKeyJIIGCUYVHDMHLY-UHFFFAOYSA-N
MW170.18 g/mol
LogP2.16
Rot. Bonds1

About 2-fluoro-5-methoxy-3,4-dimethylphenol

2-fluoro-5-methoxy-3,4-dimethylphenol (PubChem CID 10607234) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-3,4-dimethylphenol.

Molecular Properties

Compound Name2-fluoro-5-methoxy-3,4-dimethylphenol
PubChem CID10607234
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name2-fluoro-5-methoxy-3,4-dimethylphenol
SMILESCOc1cc(O)c(F)c(C)c1C
InChIInChI=1S/C9H11FO2/c1-5-6(2)9(10)7(11)4-8(5)12-3/h4,11H,1-3H3
InChIKeyJIIGCUYVHDMHLY-UHFFFAOYSA-N
XLogP2.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
3-fluoro-5-methoxy-4-methylphenol
CID 84650327
2,5-dimethoxy-3-methylbenzene-1,4-diol
CID 118620662
3,5-dimethoxy-2,6-dimethylphenol
CID 25145990
2,6-difluoro-3-hydroxy-5-methoxybenzoic acid
CID 18444822
2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol
CID 117362414
2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid
CID 117331962
5-methoxybenzene-1,2,4-triol
CID 20551665
4-fluoro-5-methoxy-1-benzothiophen-7-ol
CID 131196385
2,4-difluoro-3-(2-hydroxypropyl)-5-methoxyphenol
CID 117310551
3,4-difluoro-1-methoxy-2-methyl-5-methylsulfanylbenzene
CID 164895356
4-chloro-2-fluoro-5-methoxyphenol
CID 91801475

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-3,4-dimethylphenol?
The IUPAC name of 2-fluoro-5-methoxy-3,4-dimethylphenol (CID 10607234) is 2-fluoro-5-methoxy-3,4-dimethylphenol.
What is the SMILES notation for 2-fluoro-5-methoxy-3,4-dimethylphenol?
The canonical SMILES for 2-fluoro-5-methoxy-3,4-dimethylphenol is COc1cc(O)c(F)c(C)c1C.
What is the InChIKey of 2-fluoro-5-methoxy-3,4-dimethylphenol?
The InChIKey is JIIGCUYVHDMHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c1-5-6(2)9(10)7(11)4-8(5)12-3/h4,11H,1-3H3.
What are the key properties of 2-fluoro-5-methoxy-3,4-dimethylphenol?
2-fluoro-5-methoxy-3,4-dimethylphenol has a molecular weight of 170.18 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-3,4-dimethylphenol is sourced from PubChem (CID 10607234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).