2-chloro-5-methoxy-1,3-dimethylbenzene

C9H11ClO — CID 598497

IUPAC2-chloro-5-methoxy-1,3-dimethylbenzene
SMILESCOc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C9H11ClO/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5H,1-3H3
InChIKeyXPKNQQCTKKHCHV-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.97
Rot. Bonds1

About 2-chloro-5-methoxy-1,3-dimethylbenzene

2-chloro-5-methoxy-1,3-dimethylbenzene (PubChem CID 598497) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 2-chloro-5-methoxy-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-chloro-5-methoxy-1,3-dimethylbenzene
PubChem CID598497
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name2-chloro-5-methoxy-1,3-dimethylbenzene
SMILESCOc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C9H11ClO/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5H,1-3H3
InChIKeyXPKNQQCTKKHCHV-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-1,3-dimethylbenzene?
The IUPAC name of 2-chloro-5-methoxy-1,3-dimethylbenzene (CID 598497) is 2-chloro-5-methoxy-1,3-dimethylbenzene.
What is the SMILES notation for 2-chloro-5-methoxy-1,3-dimethylbenzene?
The canonical SMILES for 2-chloro-5-methoxy-1,3-dimethylbenzene is COc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 2-chloro-5-methoxy-1,3-dimethylbenzene?
The InChIKey is XPKNQQCTKKHCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5H,1-3H3.
What are the key properties of 2-chloro-5-methoxy-1,3-dimethylbenzene?
2-chloro-5-methoxy-1,3-dimethylbenzene has a molecular weight of 170.64 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-1,3-dimethylbenzene is sourced from PubChem (CID 598497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).