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

C12H6Cl4O — CID 23274708

IUPAC1,2,3,4-tetrachloro-5-phenoxybenzene
SMILESClc1cc(Oc2ccccc2)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H6Cl4O/c13-8-6-9(11(15)12(16)10(8)14)17-7-4-2-1-3-5-7/h1-6H
InChIKeyQAPPZLVGIXQUJW-UHFFFAOYSA-N
MW307.99 g/mol
LogP6.09
Rot. Bonds2

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

1,2,3,4-tetrachloro-5-phenoxybenzene (PubChem CID 23274708) has the molecular formula C12H6Cl4O and a molecular weight of 307.99 g/mol. Its IUPAC name is 1,2,3,4-tetrachloro-5-phenoxybenzene.

Molecular Properties

Compound Name1,2,3,4-tetrachloro-5-phenoxybenzene
PubChem CID23274708
Molecular FormulaC12H6Cl4O
Molecular Weight307.99 g/mol
Exact Mass305.92
IUPAC Name1,2,3,4-tetrachloro-5-phenoxybenzene
SMILESClc1cc(Oc2ccccc2)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H6Cl4O/c13-8-6-9(11(15)12(16)10(8)14)17-7-4-2-1-3-5-7/h1-6H
InChIKeyQAPPZLVGIXQUJW-UHFFFAOYSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.99
LogP ≤ 56.09
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-dichloro-3,4-dinitro-5-phenoxybenzene
CID 20555436
azane;1-chloro-2-phenoxybenzene
CID 68980819
1,2,3,4-tetrachloro-5-(2,3,6-trichlorophenoxy)benzene
CID 14935807
2,6-dichloro-3-methoxy-4-phenoxyaniline
CID 88611773
1,2,3-trichloro-4-(3-chlorophenoxy)benzene
CID 23274712
1-chloro-4-(chloromethyl)-2-phenoxybenzene
CID 150965989
1,2,3,4-tetrachloro-5-methoxybenzene
CID 13649
2-chloro-1-fluoro-3-phenoxybenzene
CID 155282374
1-chloro-2-methyl-3-phenoxybenzene
CID 54026510
(3-chloro-4-phenoxyphenyl)boronic acid
CID 131676875
5-chloro-4-fluoro-2-phenoxyaniline
CID 66078478
chlorobenzene;phenoxybenzene
CID 66911253

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrachloro-5-phenoxybenzene?
The IUPAC name of 1,2,3,4-tetrachloro-5-phenoxybenzene (CID 23274708) is 1,2,3,4-tetrachloro-5-phenoxybenzene.
What is the SMILES notation for 1,2,3,4-tetrachloro-5-phenoxybenzene?
The canonical SMILES for 1,2,3,4-tetrachloro-5-phenoxybenzene is Clc1cc(Oc2ccccc2)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3,4-tetrachloro-5-phenoxybenzene?
The InChIKey is QAPPZLVGIXQUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4O/c13-8-6-9(11(15)12(16)10(8)14)17-7-4-2-1-3-5-7/h1-6H.
What are the key properties of 1,2,3,4-tetrachloro-5-phenoxybenzene?
1,2,3,4-tetrachloro-5-phenoxybenzene has a molecular weight of 307.99 g/mol, XLogP of 6.09, 2 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-phenoxybenzene is sourced from PubChem (CID 23274708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).