3-(2,2-dimethylpropyl)-4-phenylphenol

C17H20O — CID 91175347

IUPAC3-(2,2-dimethylpropyl)-4-phenylphenol
SMILESCC(C)(C)Cc1cc(O)ccc1-c1ccccc1
InChIInChI=1S/C17H20O/c1-17(2,3)12-14-11-15(18)9-10-16(14)13-7-5-4-6-8-13/h4-11,18H,12H2,1-3H3
InChIKeySPYNQNTVILQSOT-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.65
Rot. Bonds2

About 3-(2,2-dimethylpropyl)-4-phenylphenol

3-(2,2-dimethylpropyl)-4-phenylphenol (PubChem CID 91175347) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-4-phenylphenol.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-4-phenylphenol
PubChem CID91175347
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name3-(2,2-dimethylpropyl)-4-phenylphenol
SMILESCC(C)(C)Cc1cc(O)ccc1-c1ccccc1
InChIInChI=1S/C17H20O/c1-17(2,3)12-14-11-15(18)9-10-16(14)13-7-5-4-6-8-13/h4-11,18H,12H2,1-3H3
InChIKeySPYNQNTVILQSOT-UHFFFAOYSA-N
XLogP4.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-4-phenylphenol?
The IUPAC name of 3-(2,2-dimethylpropyl)-4-phenylphenol (CID 91175347) is 3-(2,2-dimethylpropyl)-4-phenylphenol.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-4-phenylphenol?
The canonical SMILES for 3-(2,2-dimethylpropyl)-4-phenylphenol is CC(C)(C)Cc1cc(O)ccc1-c1ccccc1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-4-phenylphenol?
The InChIKey is SPYNQNTVILQSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-17(2,3)12-14-11-15(18)9-10-16(14)13-7-5-4-6-8-13/h4-11,18H,12H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-4-phenylphenol?
3-(2,2-dimethylpropyl)-4-phenylphenol has a molecular weight of 240.35 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-4-phenylphenol is sourced from PubChem (CID 91175347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).