1,4-dichloro-2-methoxybenzene

C7H6Cl2O — CID 16125

IUPAC1,4-dichloro-2-methoxybenzene
SMILESCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C7H6Cl2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
InChIKeyQKMNFFSBZRGHDJ-UHFFFAOYSA-N
MW177.03 g/mol
LogP3.00
Rot. Bonds1

About 1,4-dichloro-2-methoxybenzene

1,4-dichloro-2-methoxybenzene (PubChem CID 16125) has the molecular formula C7H6Cl2O and a molecular weight of 177.03 g/mol. Its IUPAC name is 1,4-dichloro-2-methoxybenzene.

Molecular Properties

Compound Name1,4-dichloro-2-methoxybenzene
PubChem CID16125
Molecular FormulaC7H6Cl2O
Molecular Weight177.03 g/mol
Exact Mass175.98
IUPAC Name1,4-dichloro-2-methoxybenzene
SMILESCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C7H6Cl2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
InChIKeyQKMNFFSBZRGHDJ-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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Related Compounds

Chloroneb
CID 17581
2,4-Dichloroanisole
CID 11119
2-Chloro-1,4-dimethoxybenzene
CID 246724
2,4,6-Trichloroanisole
CID 6884
2-Chloro-1,4-diethoxybenzene
CID 40273
2,3,5,6-Tetrachloroanisole
CID 40774
2,3,4,6-Tetrachloroanisole
CID 13647
4-Chloroanisole
CID 12167
2-Chloroanisole
CID 13011
2,4,5-Trichloroanisole
CID 22503
Allyl 2,4-dichlorophenyl ether
CID 228226
2,4-Dichlorophenetole
CID 79361

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-methoxybenzene?
The IUPAC name of 1,4-dichloro-2-methoxybenzene (CID 16125) is 1,4-dichloro-2-methoxybenzene.
What is the SMILES notation for 1,4-dichloro-2-methoxybenzene?
The canonical SMILES for 1,4-dichloro-2-methoxybenzene is COc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-methoxybenzene?
The InChIKey is QKMNFFSBZRGHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3.
What are the key properties of 1,4-dichloro-2-methoxybenzene?
1,4-dichloro-2-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 1,4-dichloro-2-methoxybenzene is sourced from PubChem (CID 16125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).