2-chloro-1-fluoro-4-methoxy-3-methylbenzene

C8H8ClFO — CID 129321885

IUPAC2-chloro-1-fluoro-4-methoxy-3-methylbenzene
SMILESCOc1ccc(F)c(Cl)c1C
InChIInChI=1S/C8H8ClFO/c1-5-7(11-2)4-3-6(10)8(5)9/h3-4H,1-2H3
InChIKeyBWABGOHRAGFVQD-UHFFFAOYSA-N
MW174.60 g/mol
LogP2.80
Rot. Bonds1

About 2-chloro-1-fluoro-4-methoxy-3-methylbenzene

2-chloro-1-fluoro-4-methoxy-3-methylbenzene (PubChem CID 129321885) has the molecular formula C8H8ClFO and a molecular weight of 174.60 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-methoxy-3-methylbenzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-methoxy-3-methylbenzene
PubChem CID129321885
Molecular FormulaC8H8ClFO
Molecular Weight174.60 g/mol
Exact Mass174.02
IUPAC Name2-chloro-1-fluoro-4-methoxy-3-methylbenzene
SMILESCOc1ccc(F)c(Cl)c1C
InChIInChI=1S/C8H8ClFO/c1-5-7(11-2)4-3-6(10)8(5)9/h3-4H,1-2H3
InChIKeyBWABGOHRAGFVQD-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.60
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Chloro-2-methylanisole
CID 76748
1-Chloro-4-methoxy-2-methylbenzene
CID 458156
3-Chloro-2-methylanisole
CID 76749
2-Chloro-6-methoxybenzonitrile
CID 81055
2-(Chloromethyl)anisole
CID 81495
4-Fluoro-2-methylanisole
CID 136239
3-Fluoro-4-methoxybenzyl chloride
CID 2060903
2-Chloro-4-methoxytoluene
CID 6951757
1-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 15578704
4-Chloro-3-(trifluoromethyl)anisole
CID 2773853
1-(1-Chloroethyl)-2-methoxybenzene
CID 21398723
2-(Chloromethyl)-3,4-difluoro-1-methoxybenzene
CID 59309611

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-methoxy-3-methylbenzene?
The IUPAC name of 2-chloro-1-fluoro-4-methoxy-3-methylbenzene (CID 129321885) is 2-chloro-1-fluoro-4-methoxy-3-methylbenzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-methoxy-3-methylbenzene?
The canonical SMILES for 2-chloro-1-fluoro-4-methoxy-3-methylbenzene is COc1ccc(F)c(Cl)c1C.
What is the InChIKey of 2-chloro-1-fluoro-4-methoxy-3-methylbenzene?
The InChIKey is BWABGOHRAGFVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO/c1-5-7(11-2)4-3-6(10)8(5)9/h3-4H,1-2H3.
What are the key properties of 2-chloro-1-fluoro-4-methoxy-3-methylbenzene?
2-chloro-1-fluoro-4-methoxy-3-methylbenzene has a molecular weight of 174.60 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-methoxy-3-methylbenzene is sourced from PubChem (CID 129321885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).