1,2-dichloro-3-methoxybenzene

C7H6Cl2O — CID 16126

IUPAC1,2-dichloro-3-methoxybenzene
SMILESCOc1cccc(Cl)c1Cl
InChIInChI=1S/C7H6Cl2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
InChIKeyHFEASCCDHUVYKU-UHFFFAOYSA-N
MW177.03 g/mol
LogP3.00
Rot. Bonds1

About 1,2-dichloro-3-methoxybenzene

1,2-dichloro-3-methoxybenzene (PubChem CID 16126) has the molecular formula C7H6Cl2O and a molecular weight of 177.03 g/mol. Its IUPAC name is 1,2-dichloro-3-methoxybenzene.

Molecular Properties

Compound Name1,2-dichloro-3-methoxybenzene
PubChem CID16126
Molecular FormulaC7H6Cl2O
Molecular Weight177.03 g/mol
Exact Mass175.98
IUPAC Name1,2-dichloro-3-methoxybenzene
SMILESCOc1cccc(Cl)c1Cl
InChIInChI=1S/C7H6Cl2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
InChIKeyHFEASCCDHUVYKU-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.03
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-methoxybenzene?
The IUPAC name of 1,2-dichloro-3-methoxybenzene (CID 16126) is 1,2-dichloro-3-methoxybenzene.
What is the SMILES notation for 1,2-dichloro-3-methoxybenzene?
The canonical SMILES for 1,2-dichloro-3-methoxybenzene is COc1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-methoxybenzene?
The InChIKey is HFEASCCDHUVYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3.
What are the key properties of 1,2-dichloro-3-methoxybenzene?
1,2-dichloro-3-methoxybenzene has a molecular weight of 177.03 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-methoxybenzene is sourced from PubChem (CID 16126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).