2-(4-tert-butylphenyl)-4-phenylbenzene-1,3-diol

C22H22O2 — CID 22620601

IUPAC2-(4-tert-butylphenyl)-4-phenylbenzene-1,3-diol
SMILESCC(C)(C)c1ccc(-c2c(O)ccc(-c3ccccc3)c2O)cc1
InChIInChI=1S/C22H22O2/c1-22(2,3)17-11-9-16(10-12-17)20-19(23)14-13-18(21(20)24)15-7-5-4-6-8-15/h4-14,23-24H,1-3H3
InChIKeyQILXTNCDFHGLEL-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.73
Rot. Bonds2

About 2-(4-tert-butylphenyl)-4-phenylbenzene-1,3-diol

2-(4-tert-butylphenyl)-4-phenylbenzene-1,3-diol (PubChem CID 22620601) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-4-phenylbenzene-1,3-diol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-4-phenylbenzene-1,3-diol
PubChem CID22620601
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name2-(4-tert-butylphenyl)-4-phenylbenzene-1,3-diol
SMILESCC(C)(C)c1ccc(-c2c(O)ccc(-c3ccccc3)c2O)cc1
InChIInChI=1S/C22H22O2/c1-22(2,3)17-11-9-16(10-12-17)20-19(23)14-13-18(21(20)24)15-7-5-4-6-8-15/h4-14,23-24H,1-3H3
InChIKeyQILXTNCDFHGLEL-UHFFFAOYSA-N
XLogP5.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-4-phenylbenzene-1,3-diol?
The IUPAC name of 2-(4-tert-butylphenyl)-4-phenylbenzene-1,3-diol (CID 22620601) is 2-(4-tert-butylphenyl)-4-phenylbenzene-1,3-diol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-4-phenylbenzene-1,3-diol?
The canonical SMILES for 2-(4-tert-butylphenyl)-4-phenylbenzene-1,3-diol is CC(C)(C)c1ccc(-c2c(O)ccc(-c3ccccc3)c2O)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-4-phenylbenzene-1,3-diol?
The InChIKey is QILXTNCDFHGLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-22(2,3)17-11-9-16(10-12-17)20-19(23)14-13-18(21(20)24)15-7-5-4-6-8-15/h4-14,23-24H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-4-phenylbenzene-1,3-diol?
2-(4-tert-butylphenyl)-4-phenylbenzene-1,3-diol has a molecular weight of 318.42 g/mol, XLogP of 5.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-4-phenylbenzene-1,3-diol is sourced from PubChem (CID 22620601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).