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

C8H8ClFO — CID 2773659

IUPAC1-chloro-3-fluoro-2-methoxy-4-methylbenzene
SMILESCOc1c(Cl)ccc(C)c1F
InChIInChI=1S/C8H8ClFO/c1-5-3-4-6(9)8(11-2)7(5)10/h3-4H,1-2H3
InChIKeySVMWIPGMWUYBGU-UHFFFAOYSA-N
MW174.60 g/mol
LogP2.80
Rot. Bonds1

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

1-chloro-3-fluoro-2-methoxy-4-methylbenzene (PubChem CID 2773659) has the molecular formula C8H8ClFO and a molecular weight of 174.60 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-methoxy-4-methylbenzene
PubChem CID2773659
Molecular FormulaC8H8ClFO
Molecular Weight174.60 g/mol
Exact Mass174.02
IUPAC Name1-chloro-3-fluoro-2-methoxy-4-methylbenzene
SMILESCOc1c(Cl)ccc(C)c1F
InChIInChI=1S/C8H8ClFO/c1-5-3-4-6(9)8(11-2)7(5)10/h3-4H,1-2H3
InChIKeySVMWIPGMWUYBGU-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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-methoxy-4-methylbenzene?
The IUPAC name of 1-chloro-3-fluoro-2-methoxy-4-methylbenzene (CID 2773659) is 1-chloro-3-fluoro-2-methoxy-4-methylbenzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-methoxy-4-methylbenzene?
The canonical SMILES for 1-chloro-3-fluoro-2-methoxy-4-methylbenzene is COc1c(Cl)ccc(C)c1F.
What is the InChIKey of 1-chloro-3-fluoro-2-methoxy-4-methylbenzene?
The InChIKey is SVMWIPGMWUYBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO/c1-5-3-4-6(9)8(11-2)7(5)10/h3-4H,1-2H3.
What are the key properties of 1-chloro-3-fluoro-2-methoxy-4-methylbenzene?
1-chloro-3-fluoro-2-methoxy-4-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 1-chloro-3-fluoro-2-methoxy-4-methylbenzene is sourced from PubChem (CID 2773659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).