1,2,3,4-tetrachloro-5-methoxybenzene

C7H4Cl4O — CID 13649

IUPAC1,2,3,4-tetrachloro-5-methoxybenzene
SMILESCOc1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C7H4Cl4O/c1-12-4-2-3(8)5(9)7(11)6(4)10/h2H,1H3
InChIKeyFUUHMSUPRUNWRQ-UHFFFAOYSA-N
MW245.92 g/mol
LogP4.31
Rot. Bonds1

About 1,2,3,4-tetrachloro-5-methoxybenzene

1,2,3,4-tetrachloro-5-methoxybenzene (PubChem CID 13649) has the molecular formula C7H4Cl4O and a molecular weight of 245.92 g/mol. Its IUPAC name is 1,2,3,4-tetrachloro-5-methoxybenzene.

Molecular Properties

Compound Name1,2,3,4-tetrachloro-5-methoxybenzene
PubChem CID13649
Molecular FormulaC7H4Cl4O
Molecular Weight245.92 g/mol
Exact Mass243.90
IUPAC Name1,2,3,4-tetrachloro-5-methoxybenzene
SMILESCOc1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C7H4Cl4O/c1-12-4-2-3(8)5(9)7(11)6(4)10/h2H,1H3
InChIKeyFUUHMSUPRUNWRQ-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.92
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,2,4,5-tetrachloro-3-(4,5-dichloro-2-methoxyphenoxy)benzene
CID 71372234
3,4-dichloro-5-methoxybenzaldehyde
CID 21483929
(3,4-dichloro-5-methoxyphenyl)boronic acid
CID 163201370
1,2,3,4-tetrachloro-5-(2,3,6-trichlorophenoxy)benzene
CID 14935807
5-bromo-2-chloro-1,3-dimethoxybenzene
CID 22557902
1,4-dichloro-2,5-dimethoxy-3-methylsulfanylbenzene
CID 86189494
3,4-dichloro-5-methoxybenzoyl chloride
CID 21483940
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
1,2,3,4,5-pentachlorobenzene;sulfane
CID 20531825
1,2,3,4-tetrachloro-5-heptoxybenzene
CID 101293567
1-chloro-2,4-difluoro-5-methoxybenzene
CID 124706419
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrachloro-5-methoxybenzene?
The IUPAC name of 1,2,3,4-tetrachloro-5-methoxybenzene (CID 13649) is 1,2,3,4-tetrachloro-5-methoxybenzene.
What is the SMILES notation for 1,2,3,4-tetrachloro-5-methoxybenzene?
The canonical SMILES for 1,2,3,4-tetrachloro-5-methoxybenzene is COc1cc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3,4-tetrachloro-5-methoxybenzene?
The InChIKey is FUUHMSUPRUNWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl4O/c1-12-4-2-3(8)5(9)7(11)6(4)10/h2H,1H3.
What are the key properties of 1,2,3,4-tetrachloro-5-methoxybenzene?
1,2,3,4-tetrachloro-5-methoxybenzene has a molecular weight of 245.92 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrachloro-5-methoxybenzene is sourced from PubChem (CID 13649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).