[4-tert-butyl-2-(3-phenylphenyl)-6-propan-2-ylphenyl]methanol

C26H30O — CID 57393989

IUPAC[4-tert-butyl-2-(3-phenylphenyl)-6-propan-2-ylphenyl]methanol
SMILESCC(C)c1cc(C(C)(C)C)cc(-c2cccc(-c3ccccc3)c2)c1CO
InChIInChI=1S/C26H30O/c1-18(2)23-15-22(26(3,4)5)16-24(25(23)17-27)21-13-9-12-20(14-21)19-10-7-6-8-11-19/h6-16,18,27H,17H2,1-5H3
InChIKeySBFDLYXSRSOVMF-UHFFFAOYSA-N
MW358.52 g/mol
LogP6.93
Rot. Bonds4

About [4-tert-butyl-2-(3-phenylphenyl)-6-propan-2-ylphenyl]methanol

[4-tert-butyl-2-(3-phenylphenyl)-6-propan-2-ylphenyl]methanol (PubChem CID 57393989) has the molecular formula C26H30O and a molecular weight of 358.52 g/mol. Its IUPAC name is [4-tert-butyl-2-(3-phenylphenyl)-6-propan-2-ylphenyl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-(3-phenylphenyl)-6-propan-2-ylphenyl]methanol
PubChem CID57393989
Molecular FormulaC26H30O
Molecular Weight358.52 g/mol
Exact Mass358.23
IUPAC Name[4-tert-butyl-2-(3-phenylphenyl)-6-propan-2-ylphenyl]methanol
SMILESCC(C)c1cc(C(C)(C)C)cc(-c2cccc(-c3ccccc3)c2)c1CO
InChIInChI=1S/C26H30O/c1-18(2)23-15-22(26(3,4)5)16-24(25(23)17-27)21-13-9-12-20(14-21)19-10-7-6-8-11-19/h6-16,18,27H,17H2,1-5H3
InChIKeySBFDLYXSRSOVMF-UHFFFAOYSA-N
XLogP6.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.52
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(3-phenylphenyl)-6-propan-2-ylphenyl]methanol?
The IUPAC name of [4-tert-butyl-2-(3-phenylphenyl)-6-propan-2-ylphenyl]methanol (CID 57393989) is [4-tert-butyl-2-(3-phenylphenyl)-6-propan-2-ylphenyl]methanol.
What is the SMILES notation for [4-tert-butyl-2-(3-phenylphenyl)-6-propan-2-ylphenyl]methanol?
The canonical SMILES for [4-tert-butyl-2-(3-phenylphenyl)-6-propan-2-ylphenyl]methanol is CC(C)c1cc(C(C)(C)C)cc(-c2cccc(-c3ccccc3)c2)c1CO.
What is the InChIKey of [4-tert-butyl-2-(3-phenylphenyl)-6-propan-2-ylphenyl]methanol?
The InChIKey is SBFDLYXSRSOVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O/c1-18(2)23-15-22(26(3,4)5)16-24(25(23)17-27)21-13-9-12-20(14-21)19-10-7-6-8-11-19/h6-16,18,27H,17H2,1-5H3.
What are the key properties of [4-tert-butyl-2-(3-phenylphenyl)-6-propan-2-ylphenyl]methanol?
[4-tert-butyl-2-(3-phenylphenyl)-6-propan-2-ylphenyl]methanol has a molecular weight of 358.52 g/mol, XLogP of 6.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(3-phenylphenyl)-6-propan-2-ylphenyl]methanol is sourced from PubChem (CID 57393989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).