2,4,6-trichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol

C15H12Cl4O2 — CID 24762918

IUPAC2,4,6-trichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol
SMILESCOc1ccc(CCc2c(Cl)cc(Cl)c(O)c2Cl)cc1Cl
InChIInChI=1S/C15H12Cl4O2/c1-21-13-5-3-8(6-11(13)17)2-4-9-10(16)7-12(18)15(20)14(9)19/h3,5-7,20H,2,4H2,1H3
InChIKeyIHJHSSFAWQOOTH-UHFFFAOYSA-N
MW366.07 g/mol
LogP5.80
Rot. Bonds4

About 2,4,6-trichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol

2,4,6-trichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol (PubChem CID 24762918) has the molecular formula C15H12Cl4O2 and a molecular weight of 366.07 g/mol. Its IUPAC name is 2,4,6-trichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2,4,6-trichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol
PubChem CID24762918
Molecular FormulaC15H12Cl4O2
Molecular Weight366.07 g/mol
Exact Mass363.96
IUPAC Name2,4,6-trichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol
SMILESCOc1ccc(CCc2c(Cl)cc(Cl)c(O)c2Cl)cc1Cl
InChIInChI=1S/C15H12Cl4O2/c1-21-13-5-3-8(6-11(13)17)2-4-9-10(16)7-12(18)15(20)14(9)19/h3,5-7,20H,2,4H2,1H3
InChIKeyIHJHSSFAWQOOTH-UHFFFAOYSA-N
XLogP5.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.07
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol?
The IUPAC name of 2,4,6-trichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol (CID 24762918) is 2,4,6-trichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol.
What is the SMILES notation for 2,4,6-trichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol?
The canonical SMILES for 2,4,6-trichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol is COc1ccc(CCc2c(Cl)cc(Cl)c(O)c2Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol?
The InChIKey is IHJHSSFAWQOOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl4O2/c1-21-13-5-3-8(6-11(13)17)2-4-9-10(16)7-12(18)15(20)14(9)19/h3,5-7,20H,2,4H2,1H3.
What are the key properties of 2,4,6-trichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol?
2,4,6-trichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol has a molecular weight of 366.07 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol is sourced from PubChem (CID 24762918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).