4-chloro-1,2-dimethoxybenzene

C8H9ClO2 — CID 28048

IUPAC4-chloro-1,2-dimethoxybenzene
SMILESCOc1ccc(Cl)cc1OC
InChIInChI=1S/C8H9ClO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
InChIKeyRXJCXGJKJZARAW-UHFFFAOYSA-N
MW172.61 g/mol
LogP2.36
Rot. Bonds2

About 4-chloro-1,2-dimethoxybenzene

4-chloro-1,2-dimethoxybenzene (PubChem CID 28048) has the molecular formula C8H9ClO2 and a molecular weight of 172.61 g/mol. Its IUPAC name is 4-chloro-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-chloro-1,2-dimethoxybenzene
PubChem CID28048
Molecular FormulaC8H9ClO2
Molecular Weight172.61 g/mol
Exact Mass172.03
IUPAC Name4-chloro-1,2-dimethoxybenzene
SMILESCOc1ccc(Cl)cc1OC
InChIInChI=1S/C8H9ClO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
InChIKeyRXJCXGJKJZARAW-UHFFFAOYSA-N
XLogP2.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,2-dimethoxybenzene?
The IUPAC name of 4-chloro-1,2-dimethoxybenzene (CID 28048) is 4-chloro-1,2-dimethoxybenzene.
What is the SMILES notation for 4-chloro-1,2-dimethoxybenzene?
The canonical SMILES for 4-chloro-1,2-dimethoxybenzene is COc1ccc(Cl)cc1OC.
What is the InChIKey of 4-chloro-1,2-dimethoxybenzene?
The InChIKey is RXJCXGJKJZARAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3.
What are the key properties of 4-chloro-1,2-dimethoxybenzene?
4-chloro-1,2-dimethoxybenzene has a molecular weight of 172.61 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,2-dimethoxybenzene is sourced from PubChem (CID 28048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).