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

C14H10Cl4O2 — CID 24762996

IUPAC2,4,6-trichloro-3-[2-(3-chloro-4-hydroxyphenyl)ethyl]phenol
SMILESOc1ccc(CCc2c(Cl)cc(Cl)c(O)c2Cl)cc1Cl
InChIInChI=1S/C14H10Cl4O2/c15-9-6-11(17)14(20)13(18)8(9)3-1-7-2-4-12(19)10(16)5-7/h2,4-6,19-20H,1,3H2
InChIKeyUYVQUQJUGXIFJW-UHFFFAOYSA-N
MW352.04 g/mol
LogP5.50
Rot. Bonds3

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

2,4,6-trichloro-3-[2-(3-chloro-4-hydroxyphenyl)ethyl]phenol (PubChem CID 24762996) has the molecular formula C14H10Cl4O2 and a molecular weight of 352.04 g/mol. Its IUPAC name is 2,4,6-trichloro-3-[2-(3-chloro-4-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2,4,6-trichloro-3-[2-(3-chloro-4-hydroxyphenyl)ethyl]phenol
PubChem CID24762996
Molecular FormulaC14H10Cl4O2
Molecular Weight352.04 g/mol
Exact Mass349.94
IUPAC Name2,4,6-trichloro-3-[2-(3-chloro-4-hydroxyphenyl)ethyl]phenol
SMILESOc1ccc(CCc2c(Cl)cc(Cl)c(O)c2Cl)cc1Cl
InChIInChI=1S/C14H10Cl4O2/c15-9-6-11(17)14(20)13(18)8(9)3-1-7-2-4-12(19)10(16)5-7/h2,4-6,19-20H,1,3H2
InChIKeyUYVQUQJUGXIFJW-UHFFFAOYSA-N
XLogP5.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.04
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 6619
CID 6619
CID 8621
CID 8621
CID 7074
CID 7074
CID 97032
CID 97032
CID 16023
CID 16023
CID 66238
CID 66238
CID 21419
CID 21419
CID 16313
CID 16313
CID 105036
CID 105036
CID 105101
CID 105101
CID 177880
CID 177880
CID 177947
CID 177947

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-3-[2-(3-chloro-4-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 2,4,6-trichloro-3-[2-(3-chloro-4-hydroxyphenyl)ethyl]phenol (CID 24762996) is 2,4,6-trichloro-3-[2-(3-chloro-4-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 2,4,6-trichloro-3-[2-(3-chloro-4-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 2,4,6-trichloro-3-[2-(3-chloro-4-hydroxyphenyl)ethyl]phenol is Oc1ccc(CCc2c(Cl)cc(Cl)c(O)c2Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-3-[2-(3-chloro-4-hydroxyphenyl)ethyl]phenol?
The InChIKey is UYVQUQJUGXIFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4O2/c15-9-6-11(17)14(20)13(18)8(9)3-1-7-2-4-12(19)10(16)5-7/h2,4-6,19-20H,1,3H2.
What are the key properties of 2,4,6-trichloro-3-[2-(3-chloro-4-hydroxyphenyl)ethyl]phenol?
2,4,6-trichloro-3-[2-(3-chloro-4-hydroxyphenyl)ethyl]phenol has a molecular weight of 352.04 g/mol, XLogP of 5.50, 3 rotatable bonds, 2 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-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 24762996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).