4-ethyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol

C23H24O — CID 66868015

IUPAC4-ethyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol
SMILESCCc1ccc(O)c(C(C)(C)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H24O/c1-4-17-15-16-20(24)22(21(17)18-11-7-5-8-12-18)23(2,3)19-13-9-6-10-14-19/h5-16,24H,4H2,1-3H3
InChIKeyUBENOBWLKVBEQQ-UHFFFAOYSA-N
MW316.44 g/mol
LogP5.95
Rot. Bonds4

About 4-ethyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol

4-ethyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol (PubChem CID 66868015) has the molecular formula C23H24O and a molecular weight of 316.44 g/mol. Its IUPAC name is 4-ethyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name4-ethyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol
PubChem CID66868015
Molecular FormulaC23H24O
Molecular Weight316.44 g/mol
Exact Mass316.18
IUPAC Name4-ethyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol
SMILESCCc1ccc(O)c(C(C)(C)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H24O/c1-4-17-15-16-20(24)22(21(17)18-11-7-5-8-12-18)23(2,3)19-13-9-6-10-14-19/h5-16,24H,4H2,1-3H3
InChIKeyUBENOBWLKVBEQQ-UHFFFAOYSA-N
XLogP5.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol?
The IUPAC name of 4-ethyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol (CID 66868015) is 4-ethyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 4-ethyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 4-ethyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol is CCc1ccc(O)c(C(C)(C)c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-ethyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol?
The InChIKey is UBENOBWLKVBEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O/c1-4-17-15-16-20(24)22(21(17)18-11-7-5-8-12-18)23(2,3)19-13-9-6-10-14-19/h5-16,24H,4H2,1-3H3.
What are the key properties of 4-ethyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol?
4-ethyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol has a molecular weight of 316.44 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-phenyl-2-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 66868015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).