2-(3,5-dichlorophenyl)-5-(2-phenylpropan-2-yl)phenol

C21H18Cl2O — CID 25029551

IUPAC2-(3,5-dichlorophenyl)-5-(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1ccc(-c2cc(Cl)cc(Cl)c2)c(O)c1
InChIInChI=1S/C21H18Cl2O/c1-21(2,15-6-4-3-5-7-15)16-8-9-19(20(24)12-16)14-10-17(22)13-18(23)11-14/h3-13,24H,1-2H3
InChIKeyCMFRWRRJXPMWNF-UHFFFAOYSA-N
MW357.28 g/mol
LogP6.69
Rot. Bonds3

About 2-(3,5-dichlorophenyl)-5-(2-phenylpropan-2-yl)phenol

2-(3,5-dichlorophenyl)-5-(2-phenylpropan-2-yl)phenol (PubChem CID 25029551) has the molecular formula C21H18Cl2O and a molecular weight of 357.28 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-5-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-5-(2-phenylpropan-2-yl)phenol
PubChem CID25029551
Molecular FormulaC21H18Cl2O
Molecular Weight357.28 g/mol
Exact Mass356.07
IUPAC Name2-(3,5-dichlorophenyl)-5-(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1ccc(-c2cc(Cl)cc(Cl)c2)c(O)c1
InChIInChI=1S/C21H18Cl2O/c1-21(2,15-6-4-3-5-7-15)16-8-9-19(20(24)12-16)14-10-17(22)13-18(23)11-14/h3-13,24H,1-2H3
InChIKeyCMFRWRRJXPMWNF-UHFFFAOYSA-N
XLogP6.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.28
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-5-(2-phenylpropan-2-yl)phenol?
The IUPAC name of 2-(3,5-dichlorophenyl)-5-(2-phenylpropan-2-yl)phenol (CID 25029551) is 2-(3,5-dichlorophenyl)-5-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-5-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 2-(3,5-dichlorophenyl)-5-(2-phenylpropan-2-yl)phenol is CC(C)(c1ccccc1)c1ccc(-c2cc(Cl)cc(Cl)c2)c(O)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-5-(2-phenylpropan-2-yl)phenol?
The InChIKey is CMFRWRRJXPMWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2O/c1-21(2,15-6-4-3-5-7-15)16-8-9-19(20(24)12-16)14-10-17(22)13-18(23)11-14/h3-13,24H,1-2H3.
What are the key properties of 2-(3,5-dichlorophenyl)-5-(2-phenylpropan-2-yl)phenol?
2-(3,5-dichlorophenyl)-5-(2-phenylpropan-2-yl)phenol has a molecular weight of 357.28 g/mol, XLogP of 6.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-5-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 25029551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).