1,3-dichloro-5-methoxy-2,4-dimethylbenzene

C9H10Cl2O — CID 609391

IUPAC1,3-dichloro-5-methoxy-2,4-dimethylbenzene
SMILESCOc1cc(Cl)c(C)c(Cl)c1C
InChIInChI=1S/C9H10Cl2O/c1-5-7(10)4-8(12-3)6(2)9(5)11/h4H,1-3H3
InChIKeyUPSQNTYVCMUKPB-UHFFFAOYSA-N
MW205.08 g/mol
LogP3.62
Rot. Bonds1

About 1,3-dichloro-5-methoxy-2,4-dimethylbenzene

1,3-dichloro-5-methoxy-2,4-dimethylbenzene (PubChem CID 609391) has the molecular formula C9H10Cl2O and a molecular weight of 205.08 g/mol. Its IUPAC name is 1,3-dichloro-5-methoxy-2,4-dimethylbenzene.

Molecular Properties

Compound Name1,3-dichloro-5-methoxy-2,4-dimethylbenzene
PubChem CID609391
Molecular FormulaC9H10Cl2O
Molecular Weight205.08 g/mol
Exact Mass204.01
IUPAC Name1,3-dichloro-5-methoxy-2,4-dimethylbenzene
SMILESCOc1cc(Cl)c(C)c(Cl)c1C
InChIInChI=1S/C9H10Cl2O/c1-5-7(10)4-8(12-3)6(2)9(5)11/h4H,1-3H3
InChIKeyUPSQNTYVCMUKPB-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-methoxy-2,4-dimethylbenzene?
The IUPAC name of 1,3-dichloro-5-methoxy-2,4-dimethylbenzene (CID 609391) is 1,3-dichloro-5-methoxy-2,4-dimethylbenzene.
What is the SMILES notation for 1,3-dichloro-5-methoxy-2,4-dimethylbenzene?
The canonical SMILES for 1,3-dichloro-5-methoxy-2,4-dimethylbenzene is COc1cc(Cl)c(C)c(Cl)c1C.
What is the InChIKey of 1,3-dichloro-5-methoxy-2,4-dimethylbenzene?
The InChIKey is UPSQNTYVCMUKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O/c1-5-7(10)4-8(12-3)6(2)9(5)11/h4H,1-3H3.
What are the key properties of 1,3-dichloro-5-methoxy-2,4-dimethylbenzene?
1,3-dichloro-5-methoxy-2,4-dimethylbenzene has a molecular weight of 205.08 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-methoxy-2,4-dimethylbenzene is sourced from PubChem (CID 609391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).