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

C9H7Cl5O — CID 607333

IUPAC1,2,4-trichloro-5-(2,3-dichloropropoxy)benzene
SMILESClCC(Cl)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H7Cl5O/c10-3-5(11)4-15-9-2-7(13)6(12)1-8(9)14/h1-2,5H,3-4H2
InChIKeyPZQNIZNKFJOAAZ-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.87
Rot. Bonds4

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

1,2,4-trichloro-5-(2,3-dichloropropoxy)benzene (PubChem CID 607333) has the molecular formula C9H7Cl5O and a molecular weight of 308.42 g/mol. Its IUPAC name is 1,2,4-trichloro-5-(2,3-dichloropropoxy)benzene.

Molecular Properties

Compound Name1,2,4-trichloro-5-(2,3-dichloropropoxy)benzene
PubChem CID607333
Molecular FormulaC9H7Cl5O
Molecular Weight308.42 g/mol
Exact Mass305.89
IUPAC Name1,2,4-trichloro-5-(2,3-dichloropropoxy)benzene
SMILESClCC(Cl)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H7Cl5O/c10-3-5(11)4-15-9-2-7(13)6(12)1-8(9)14/h1-2,5H,3-4H2
InChIKeyPZQNIZNKFJOAAZ-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2,4-trichloro-5-(2,3-dichloropropoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol
CID 62265767
1,4-dichloro-2,5-bis(3-chloropropoxy)benzene
CID 54022479
2-(2,4,5-trichlorophenoxy)ethanol
CID 87745106
4-(2,4,5-trichlorophenoxy)butanal
CID 155213152
2-[(2,4,5-trichlorophenoxy)methyl]pentane-1-sulfonamide
CID 65013064
1,2,4-trichloro-5-(3-iodoprop-2-ynoxy)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169441114
1,2,4-trichloro-5-undecoxybenzene
CID 518118
1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene
CID 130501614
amino 2-(2,4,5-trichlorophenoxy)acetate
CID 56607198
3-(4-bromo-2,5-dichlorophenoxy)-2-methylpropan-1-amine
CID 107659698
2-methylbutyl 2-(2,4,5-trichlorophenoxy)acetate
CID 3024990
1-butan-2-yloxy-2,4,5-trichlorobenzene
CID 518247

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-5-(2,3-dichloropropoxy)benzene?
The IUPAC name of 1,2,4-trichloro-5-(2,3-dichloropropoxy)benzene (CID 607333) is 1,2,4-trichloro-5-(2,3-dichloropropoxy)benzene.
What is the SMILES notation for 1,2,4-trichloro-5-(2,3-dichloropropoxy)benzene?
The canonical SMILES for 1,2,4-trichloro-5-(2,3-dichloropropoxy)benzene is ClCC(Cl)COc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 1,2,4-trichloro-5-(2,3-dichloropropoxy)benzene?
The InChIKey is PZQNIZNKFJOAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl5O/c10-3-5(11)4-15-9-2-7(13)6(12)1-8(9)14/h1-2,5H,3-4H2.
What are the key properties of 1,2,4-trichloro-5-(2,3-dichloropropoxy)benzene?
1,2,4-trichloro-5-(2,3-dichloropropoxy)benzene has a molecular weight of 308.42 g/mol, XLogP of 4.87, 4 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-(2,3-dichloropropoxy)benzene is sourced from PubChem (CID 607333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).