1-fluoro-3,5-dimethoxy-2-methylbenzene

C9H11FO2 — CID 22970635

IUPAC1-fluoro-3,5-dimethoxy-2-methylbenzene
SMILESCOc1cc(F)c(C)c(OC)c1
InChIInChI=1S/C9H11FO2/c1-6-8(10)4-7(11-2)5-9(6)12-3/h4-5H,1-3H3
InChIKeyZYVIESMWPIWIDY-UHFFFAOYSA-N
MW170.18 g/mol
LogP2.15
Rot. Bonds2

About 1-fluoro-3,5-dimethoxy-2-methylbenzene

1-fluoro-3,5-dimethoxy-2-methylbenzene (PubChem CID 22970635) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 1-fluoro-3,5-dimethoxy-2-methylbenzene.

Molecular Properties

Compound Name1-fluoro-3,5-dimethoxy-2-methylbenzene
PubChem CID22970635
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name1-fluoro-3,5-dimethoxy-2-methylbenzene
SMILESCOc1cc(F)c(C)c(OC)c1
InChIInChI=1S/C9H11FO2/c1-6-8(10)4-7(11-2)5-9(6)12-3/h4-5H,1-3H3
InChIKeyZYVIESMWPIWIDY-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-2,3,5-trimethoxybenzene
CID 151392889
3-fluoro-5-methoxy-4-methylphenol
CID 84650327
2-fluoro-4,6-dimethoxybenzenethiol
CID 91874712
2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene
CID 175990083
3,5-dimethoxy-2-methylaniline;hydrochloride
CID 91663006
2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine
CID 130066698
3,5-dimethoxy-2-methylbenzaldehyde
CID 10214428
1-fluoro-3,5-dimethoxy-2-nitrobenzene
CID 71490874
(3,5-dimethoxy-2-methylphenyl)-trimethoxysilane
CID 59566684
chloro-tris(3,5-dimethoxy-2-methylphenyl)silane
CID 88962952
(3,5-dimethoxy-2-methylphenyl)methanediol
CID 123413723
1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene
CID 102431568

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,5-dimethoxy-2-methylbenzene?
The IUPAC name of 1-fluoro-3,5-dimethoxy-2-methylbenzene (CID 22970635) is 1-fluoro-3,5-dimethoxy-2-methylbenzene.
What is the SMILES notation for 1-fluoro-3,5-dimethoxy-2-methylbenzene?
The canonical SMILES for 1-fluoro-3,5-dimethoxy-2-methylbenzene is COc1cc(F)c(C)c(OC)c1.
What is the InChIKey of 1-fluoro-3,5-dimethoxy-2-methylbenzene?
The InChIKey is ZYVIESMWPIWIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c1-6-8(10)4-7(11-2)5-9(6)12-3/h4-5H,1-3H3.
What are the key properties of 1-fluoro-3,5-dimethoxy-2-methylbenzene?
1-fluoro-3,5-dimethoxy-2-methylbenzene has a molecular weight of 170.18 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,5-dimethoxy-2-methylbenzene is sourced from PubChem (CID 22970635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).