1,5-dichloro-3-(chloromethyl)-2-methoxybenzene

C8H7Cl3O — CID 43516332

IUPAC1,5-dichloro-3-(chloromethyl)-2-methoxybenzene
SMILESCOc1c(Cl)cc(Cl)cc1CCl
InChIInChI=1S/C8H7Cl3O/c1-12-8-5(4-9)2-6(10)3-7(8)11/h2-3H,4H2,1H3
InChIKeyFUJZMLUYIBCPOT-UHFFFAOYSA-N
MW225.50 g/mol
LogP3.74
Rot. Bonds2

About 1,5-dichloro-3-(chloromethyl)-2-methoxybenzene

1,5-dichloro-3-(chloromethyl)-2-methoxybenzene (PubChem CID 43516332) has the molecular formula C8H7Cl3O and a molecular weight of 225.50 g/mol. Its IUPAC name is 1,5-dichloro-3-(chloromethyl)-2-methoxybenzene.

Molecular Properties

Compound Name1,5-dichloro-3-(chloromethyl)-2-methoxybenzene
PubChem CID43516332
Molecular FormulaC8H7Cl3O
Molecular Weight225.50 g/mol
Exact Mass223.96
IUPAC Name1,5-dichloro-3-(chloromethyl)-2-methoxybenzene
SMILESCOc1c(Cl)cc(Cl)cc1CCl
InChIInChI=1S/C8H7Cl3O/c1-12-8-5(4-9)2-6(10)3-7(8)11/h2-3H,4H2,1H3
InChIKeyFUJZMLUYIBCPOT-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.50
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,4,6-Trichloroanisole
CID 6884
4-Chloro-2-methylanisole
CID 76748
3-Chloro-4-methoxytoluene
CID 140873
2,4,6-Trichloroanisole-d5
CID 16212193
4-Chloro-2-ethynyl-1-methoxybenzene
CID 23260703
2,4-Dichloro-1-(phenylmethoxy)benzene
CID 302968
3-Chloro-4-methoxybenzyl chloride
CID 11159814
1,3-Dichloro-5-(chloromethyl)-2-methoxybenzene
CID 12236350
2-(3-Chloro-2-methoxyphenyl)acetonitrile
CID 17989277
1-Chloro-3-(chloromethyl)-2-methoxybenzene
CID 20538767
2-(3,5-Dichloro-4-methoxyphenyl)acetonitrile
CID 24972924
1,3-Dichloro-5-ethynyl-2-methoxybenzene
CID 125479926

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-3-(chloromethyl)-2-methoxybenzene?
The IUPAC name of 1,5-dichloro-3-(chloromethyl)-2-methoxybenzene (CID 43516332) is 1,5-dichloro-3-(chloromethyl)-2-methoxybenzene.
What is the SMILES notation for 1,5-dichloro-3-(chloromethyl)-2-methoxybenzene?
The canonical SMILES for 1,5-dichloro-3-(chloromethyl)-2-methoxybenzene is COc1c(Cl)cc(Cl)cc1CCl.
What is the InChIKey of 1,5-dichloro-3-(chloromethyl)-2-methoxybenzene?
The InChIKey is FUJZMLUYIBCPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3O/c1-12-8-5(4-9)2-6(10)3-7(8)11/h2-3H,4H2,1H3.
What are the key properties of 1,5-dichloro-3-(chloromethyl)-2-methoxybenzene?
1,5-dichloro-3-(chloromethyl)-2-methoxybenzene has a molecular weight of 225.50 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-3-(chloromethyl)-2-methoxybenzene is sourced from PubChem (CID 43516332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).