1,2,4-trichloro-5-(3-chlorophenoxy)benzene

C12H6Cl4O — CID 23274709

IUPAC1,2,4-trichloro-5-(3-chlorophenoxy)benzene
SMILESClc1cccc(Oc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C12H6Cl4O/c13-7-2-1-3-8(4-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H
InChIKeyQDQGECFQVPRMEO-UHFFFAOYSA-N
MW307.99 g/mol
LogP6.09
Rot. Bonds2

About 1,2,4-trichloro-5-(3-chlorophenoxy)benzene

1,2,4-trichloro-5-(3-chlorophenoxy)benzene (PubChem CID 23274709) has the molecular formula C12H6Cl4O and a molecular weight of 307.99 g/mol. Its IUPAC name is 1,2,4-trichloro-5-(3-chlorophenoxy)benzene.

Molecular Properties

Compound Name1,2,4-trichloro-5-(3-chlorophenoxy)benzene
PubChem CID23274709
Molecular FormulaC12H6Cl4O
Molecular Weight307.99 g/mol
Exact Mass305.92
IUPAC Name1,2,4-trichloro-5-(3-chlorophenoxy)benzene
SMILESClc1cccc(Oc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C12H6Cl4O/c13-7-2-1-3-8(4-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H
InChIKeyQDQGECFQVPRMEO-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'}

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Related Compounds

1-chloro-2-(3-chlorophenoxy)-4-methylbenzene
CID 170985153
1,2-dichloro-3-(3-chlorophenoxy)benzene
CID 72941852
1,2,3-trichloro-4-(3-chlorophenoxy)benzene
CID 23274712
3-(2,4,5-trichlorophenoxy)benzaldehyde
CID 63942666
3-chloro-4-(3-chlorophenoxy)benzaldehyde
CID 81152636
4-chloro-3-(3-chlorophenoxy)benzaldehyde
CID 170985401
1-chloro-3-(2-iodophenoxy)benzene
CID 138106392
2-(3-chlorophenoxy)benzoyl bromide
CID 139662791
4-(2,4,5-trichlorophenoxy)benzene-1,2-diamine
CID 106748304
N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63552561
2-(3-chlorophenoxy)-6-fluorobenzonitrile
CID 24777412
5-chloro-2-(3-chlorophenoxy)benzonitrile
CID 63512022

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-5-(3-chlorophenoxy)benzene?
The IUPAC name of 1,2,4-trichloro-5-(3-chlorophenoxy)benzene (CID 23274709) is 1,2,4-trichloro-5-(3-chlorophenoxy)benzene.
What is the SMILES notation for 1,2,4-trichloro-5-(3-chlorophenoxy)benzene?
The canonical SMILES for 1,2,4-trichloro-5-(3-chlorophenoxy)benzene is Clc1cccc(Oc2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 1,2,4-trichloro-5-(3-chlorophenoxy)benzene?
The InChIKey is QDQGECFQVPRMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4O/c13-7-2-1-3-8(4-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H.
What are the key properties of 1,2,4-trichloro-5-(3-chlorophenoxy)benzene?
1,2,4-trichloro-5-(3-chlorophenoxy)benzene 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 1,2,4-trichloro-5-(3-chlorophenoxy)benzene is sourced from PubChem (CID 23274709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).