2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol

C21H18Cl2O2 — CID 150655549

IUPAC2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol
SMILESCC(Cc1ccccc1)(c1ccc(O)c(Cl)c1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C21H18Cl2O2/c1-21(13-14-5-3-2-4-6-14,15-7-9-19(24)17(22)11-15)16-8-10-20(25)18(23)12-16/h2-12,24-25H,13H2,1H3
InChIKeyJCTVMKIERMFJEV-UHFFFAOYSA-N
MW373.28 g/mol
LogP5.95
Rot. Bonds4

About 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol

2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol (PubChem CID 150655549) has the molecular formula C21H18Cl2O2 and a molecular weight of 373.28 g/mol. Its IUPAC name is 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol
PubChem CID150655549
Molecular FormulaC21H18Cl2O2
Molecular Weight373.28 g/mol
Exact Mass372.07
IUPAC Name2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol
SMILESCC(Cc1ccccc1)(c1ccc(O)c(Cl)c1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C21H18Cl2O2/c1-21(13-14-5-3-2-4-6-14,15-7-9-19(24)17(22)11-15)16-8-10-20(25)18(23)12-16/h2-12,24-25H,13H2,1H3
InChIKeyJCTVMKIERMFJEV-UHFFFAOYSA-N
XLogP5.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.28
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol
CID 67400035
4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline
CID 59136544
4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol
CID 139601186
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol
CID 67724920
2-(3-chloro-4-hydroxyphenyl)-2-fluoropropanoic acid
CID 105424799
4-(2-amino-2-methylpropyl)-2-chlorophenol
CID 12826919
4-[1-phenyl-2-[4-[tris[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenol
CID 139642251
2-chloro-4-(trifluoromethyl)phenol
CID 2736603
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 161473279
4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol
CID 142099011
4-[(4-tert-butylphenyl)methylamino]-2-chlorophenol
CID 107678593
1-(3,4-dichlorophenyl)-2-methyl-3-phenylpropan-2-ol
CID 63012421

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol?
The IUPAC name of 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol (CID 150655549) is 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol.
What is the SMILES notation for 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol?
The canonical SMILES for 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol is CC(Cc1ccccc1)(c1ccc(O)c(Cl)c1)c1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol?
The InChIKey is JCTVMKIERMFJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2O2/c1-21(13-14-5-3-2-4-6-14,15-7-9-19(24)17(22)11-15)16-8-10-20(25)18(23)12-16/h2-12,24-25H,13H2,1H3.
What are the key properties of 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol?
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol has a molecular weight of 373.28 g/mol, XLogP of 5.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-2-yl]phenol is sourced from PubChem (CID 150655549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).