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

C9H11ClO — CID 15357078

IUPAC5-chloro-2-methoxy-1,3-dimethylbenzene
SMILESCOc1c(C)cc(Cl)cc1C
InChIInChI=1S/C9H11ClO/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5H,1-3H3
InChIKeyMXAOCQCPDIIBGZ-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.97
Rot. Bonds1

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

5-chloro-2-methoxy-1,3-dimethylbenzene (PubChem CID 15357078) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 5-chloro-2-methoxy-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-chloro-2-methoxy-1,3-dimethylbenzene
PubChem CID15357078
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name5-chloro-2-methoxy-1,3-dimethylbenzene
SMILESCOc1c(C)cc(Cl)cc1C
InChIInChI=1S/C9H11ClO/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5H,1-3H3
InChIKeyMXAOCQCPDIIBGZ-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 5-chloro-2-methoxy-1,3-dimethylbenzene?
The IUPAC name of 5-chloro-2-methoxy-1,3-dimethylbenzene (CID 15357078) is 5-chloro-2-methoxy-1,3-dimethylbenzene.
What is the SMILES notation for 5-chloro-2-methoxy-1,3-dimethylbenzene?
The canonical SMILES for 5-chloro-2-methoxy-1,3-dimethylbenzene is COc1c(C)cc(Cl)cc1C.
What is the InChIKey of 5-chloro-2-methoxy-1,3-dimethylbenzene?
The InChIKey is MXAOCQCPDIIBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5H,1-3H3.
What are the key properties of 5-chloro-2-methoxy-1,3-dimethylbenzene?
5-chloro-2-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 5-chloro-2-methoxy-1,3-dimethylbenzene is sourced from PubChem (CID 15357078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).