(4-tert-butylphenyl)-[3-[1-(4-hydroxyphenyl)ethenyl]phenyl]methanone

C25H24O2 — CID 134464344

IUPAC(4-tert-butylphenyl)-[3-[1-(4-hydroxyphenyl)ethenyl]phenyl]methanone
SMILESC=C(c1ccc(O)cc1)c1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C25H24O2/c1-17(18-10-14-23(26)15-11-18)20-6-5-7-21(16-20)24(27)19-8-12-22(13-9-19)25(2,3)4/h5-16,26H,1H2,2-4H3
InChIKeyOUOXNFUHGCEHJT-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.98
Rot. Bonds4

About (4-tert-butylphenyl)-[3-[1-(4-hydroxyphenyl)ethenyl]phenyl]methanone

(4-tert-butylphenyl)-[3-[1-(4-hydroxyphenyl)ethenyl]phenyl]methanone (PubChem CID 134464344) has the molecular formula C25H24O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[3-[1-(4-hydroxyphenyl)ethenyl]phenyl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[3-[1-(4-hydroxyphenyl)ethenyl]phenyl]methanone
PubChem CID134464344
Molecular FormulaC25H24O2
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Name(4-tert-butylphenyl)-[3-[1-(4-hydroxyphenyl)ethenyl]phenyl]methanone
SMILESC=C(c1ccc(O)cc1)c1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C25H24O2/c1-17(18-10-14-23(26)15-11-18)20-6-5-7-21(16-20)24(27)19-8-12-22(13-9-19)25(2,3)4/h5-16,26H,1H2,2-4H3
InChIKeyOUOXNFUHGCEHJT-UHFFFAOYSA-N
XLogP5.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[3-[1-(4-hydroxyphenyl)ethenyl]phenyl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[3-[1-(4-hydroxyphenyl)ethenyl]phenyl]methanone (CID 134464344) is (4-tert-butylphenyl)-[3-[1-(4-hydroxyphenyl)ethenyl]phenyl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[3-[1-(4-hydroxyphenyl)ethenyl]phenyl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[3-[1-(4-hydroxyphenyl)ethenyl]phenyl]methanone is C=C(c1ccc(O)cc1)c1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of (4-tert-butylphenyl)-[3-[1-(4-hydroxyphenyl)ethenyl]phenyl]methanone?
The InChIKey is OUOXNFUHGCEHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O2/c1-17(18-10-14-23(26)15-11-18)20-6-5-7-21(16-20)24(27)19-8-12-22(13-9-19)25(2,3)4/h5-16,26H,1H2,2-4H3.
What are the key properties of (4-tert-butylphenyl)-[3-[1-(4-hydroxyphenyl)ethenyl]phenyl]methanone?
(4-tert-butylphenyl)-[3-[1-(4-hydroxyphenyl)ethenyl]phenyl]methanone has a molecular weight of 356.47 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[3-[1-(4-hydroxyphenyl)ethenyl]phenyl]methanone is sourced from PubChem (CID 134464344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).