1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene

C13H8Cl4O — CID 134627061

IUPAC1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene
SMILESCOc1cc(-c2cc(Cl)cc(Cl)c2Cl)ccc1Cl
InChIInChI=1S/C13H8Cl4O/c1-18-12-4-7(2-3-10(12)15)9-5-8(14)6-11(16)13(9)17/h2-6H,1H3
InChIKeyUUSKUBHWJROPPY-UHFFFAOYSA-N
MW322.02 g/mol
LogP5.98
Rot. Bonds2

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

1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene (PubChem CID 134627061) has the molecular formula C13H8Cl4O and a molecular weight of 322.02 g/mol. Its IUPAC name is 1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene.

Molecular Properties

Compound Name1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene
PubChem CID134627061
Molecular FormulaC13H8Cl4O
Molecular Weight322.02 g/mol
Exact Mass319.93
IUPAC Name1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene
SMILESCOc1cc(-c2cc(Cl)cc(Cl)c2Cl)ccc1Cl
InChIInChI=1S/C13H8Cl4O/c1-18-12-4-7(2-3-10(12)15)9-5-8(14)6-11(16)13(9)17/h2-6H,1H3
InChIKeyUUSKUBHWJROPPY-UHFFFAOYSA-N
XLogP5.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.02
LogP ≤ 55.98
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-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene
CID 118811160
1-(4-bromo-3-chlorophenyl)-2,3,5-trichlorobenzene
CID 101423965
1,2,4-trichloro-5-(3,4-dichlorophenyl)-3-methoxybenzene
CID 86183672
1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene
CID 10381430
4-(4-chloro-3-methoxyphenyl)-3-fluoroaniline
CID 79711769
[3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine
CID 114076769
1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 119008746
1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone
CID 79711690
5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 54971472
4-(2,4-dichlorophenyl)-2-methoxyaniline
CID 164513719
4-(4-chloro-3-methoxyphenyl)-3-methylbenzaldehyde
CID 81447221

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene?
The IUPAC name of 1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene (CID 134627061) is 1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene.
What is the SMILES notation for 1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene?
The canonical SMILES for 1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene is COc1cc(-c2cc(Cl)cc(Cl)c2Cl)ccc1Cl.
What is the InChIKey of 1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene?
The InChIKey is UUSKUBHWJROPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4O/c1-18-12-4-7(2-3-10(12)15)9-5-8(14)6-11(16)13(9)17/h2-6H,1H3.
What are the key properties of 1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene?
1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene has a molecular weight of 322.02 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trichloro-3-(4-chloro-3-methoxyphenyl)benzene is sourced from PubChem (CID 134627061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).