3,5-dichloro-4-[2-(2,6-dichloro-4-hydroxyphenyl)propan-2-yl]phenol

C15H12Cl4O2 — CID 22720131

IUPAC3,5-dichloro-4-[2-(2,6-dichloro-4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl
InChIInChI=1S/C15H12Cl4O2/c1-15(2,13-9(16)3-7(20)4-10(13)17)14-11(18)5-8(21)6-12(14)19/h3-6,20-21H,1-2H3
InChIKeyPPRWTMVSNOOMDW-UHFFFAOYSA-N
MW366.07 g/mol
LogP6.04
Rot. Bonds2

About 3,5-dichloro-4-[2-(2,6-dichloro-4-hydroxyphenyl)propan-2-yl]phenol

3,5-dichloro-4-[2-(2,6-dichloro-4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 22720131) has the molecular formula C15H12Cl4O2 and a molecular weight of 366.07 g/mol. Its IUPAC name is 3,5-dichloro-4-[2-(2,6-dichloro-4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name3,5-dichloro-4-[2-(2,6-dichloro-4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID22720131
Molecular FormulaC15H12Cl4O2
Molecular Weight366.07 g/mol
Exact Mass363.96
IUPAC Name3,5-dichloro-4-[2-(2,6-dichloro-4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl
InChIInChI=1S/C15H12Cl4O2/c1-15(2,13-9(16)3-7(20)4-10(13)17)14-11(18)5-8(21)6-12(14)19/h3-6,20-21H,1-2H3
InChIKeyPPRWTMVSNOOMDW-UHFFFAOYSA-N
XLogP6.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.07
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,5-dichloro-4-[2-(2,6-dichloro-4-hydroxyphenyl)propan-2-yl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[2-(2,6-dichloro-4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of 3,5-dichloro-4-[2-(2,6-dichloro-4-hydroxyphenyl)propan-2-yl]phenol (CID 22720131) is 3,5-dichloro-4-[2-(2,6-dichloro-4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for 3,5-dichloro-4-[2-(2,6-dichloro-4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for 3,5-dichloro-4-[2-(2,6-dichloro-4-hydroxyphenyl)propan-2-yl]phenol is CC(C)(c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-[2-(2,6-dichloro-4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is PPRWTMVSNOOMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl4O2/c1-15(2,13-9(16)3-7(20)4-10(13)17)14-11(18)5-8(21)6-12(14)19/h3-6,20-21H,1-2H3.
What are the key properties of 3,5-dichloro-4-[2-(2,6-dichloro-4-hydroxyphenyl)propan-2-yl]phenol?
3,5-dichloro-4-[2-(2,6-dichloro-4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 366.07 g/mol, XLogP of 6.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[2-(2,6-dichloro-4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 22720131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).