1,3,5-trichloro-2-methoxybenzene

C7H5Cl3O — CID 6884

IUPAC1,3,5-trichloro-2-methoxybenzene
SMILESCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKeyWCVOGSZTONGSQY-UHFFFAOYSA-N
MW211.47 g/mol
LogP3.66
Rot. Bonds1

About 1,3,5-trichloro-2-methoxybenzene

1,3,5-trichloro-2-methoxybenzene (PubChem CID 6884) has the molecular formula C7H5Cl3O and a molecular weight of 211.47 g/mol. Its IUPAC name is 1,3,5-trichloro-2-methoxybenzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-methoxybenzene
PubChem CID6884
Molecular FormulaC7H5Cl3O
Molecular Weight211.47 g/mol
Exact Mass209.94
IUPAC Name1,3,5-trichloro-2-methoxybenzene
SMILESCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKeyWCVOGSZTONGSQY-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-Dichloroanisole
CID 11119
Bis(2,4-dichlorophenyl)ether
CID 34140
2,5-Dichloroanisole
CID 16125
2-Chloro-1,4-dimethoxybenzene
CID 246724
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
Phenol, 2,4-dichloro-, 1-acetate
CID 22812
Sodium 2,4,6-trichlorophenoxide
CID 23678873
Allyl 2,4-dichlorophenyl ether
CID 228226

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2-methoxybenzene?
The IUPAC name of 1,3,5-trichloro-2-methoxybenzene (CID 6884) is 1,3,5-trichloro-2-methoxybenzene.
What is the SMILES notation for 1,3,5-trichloro-2-methoxybenzene?
The canonical SMILES for 1,3,5-trichloro-2-methoxybenzene is COc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1,3,5-trichloro-2-methoxybenzene?
The InChIKey is WCVOGSZTONGSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3.
What are the key properties of 1,3,5-trichloro-2-methoxybenzene?
1,3,5-trichloro-2-methoxybenzene has a molecular weight of 211.47 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-2-methoxybenzene is sourced from PubChem (CID 6884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).