4-(2-phenylpropan-2-yl)phenol

C15H16O — CID 11742

IUPAC4-(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3
InChIKeyQBDSZLJBMIMQRS-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.72
Rot. Bonds2

About 4-(2-phenylpropan-2-yl)phenol

4-(2-phenylpropan-2-yl)phenol (PubChem CID 11742) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name4-(2-phenylpropan-2-yl)phenol
PubChem CID11742
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name4-(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3
InChIKeyQBDSZLJBMIMQRS-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-Pentylphenol
CID 6643
P-Cresol
CID 2879
Diethylstilbestrol
CID 448537
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
2-Naphthol
CID 8663
Tert-Butylhydroquinone
CID 16043
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
4-tert-Butylphenol
CID 7393
4-tert-Butylcatechol
CID 7381

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylpropan-2-yl)phenol?
The IUPAC name of 4-(2-phenylpropan-2-yl)phenol (CID 11742) is 4-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 4-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 4-(2-phenylpropan-2-yl)phenol is CC(C)(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-(2-phenylpropan-2-yl)phenol?
The InChIKey is QBDSZLJBMIMQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3.
What are the key properties of 4-(2-phenylpropan-2-yl)phenol?
4-(2-phenylpropan-2-yl)phenol has a molecular weight of 212.29 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 11742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).