(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)methanol

C20H26O — CID 57397476

IUPAC(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)methanol
SMILESCC(C)c1cc(C(C)(C)C)cc(-c2ccccc2)c1CO
InChIInChI=1S/C20H26O/c1-14(2)17-11-16(20(3,4)5)12-18(19(17)13-21)15-9-7-6-8-10-15/h6-12,14,21H,13H2,1-5H3
InChIKeyZMXWCYHNACLITP-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.27
Rot. Bonds3

About (4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)methanol

(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)methanol (PubChem CID 57397476) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is (4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)methanol
PubChem CID57397476
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)methanol
SMILESCC(C)c1cc(C(C)(C)C)cc(-c2ccccc2)c1CO
InChIInChI=1S/C20H26O/c1-14(2)17-11-16(20(3,4)5)12-18(19(17)13-21)15-9-7-6-8-10-15/h6-12,14,21H,13H2,1-5H3
InChIKeyZMXWCYHNACLITP-UHFFFAOYSA-N
XLogP5.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.27
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-phenyl-6-propan-2-ylphenyl)methanol?
The IUPAC name of (4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)methanol (CID 57397476) is (4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)methanol.
What is the SMILES notation for (4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)methanol?
The canonical SMILES for (4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)methanol is CC(C)c1cc(C(C)(C)C)cc(-c2ccccc2)c1CO.
What is the InChIKey of (4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)methanol?
The InChIKey is ZMXWCYHNACLITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-14(2)17-11-16(20(3,4)5)12-18(19(17)13-21)15-9-7-6-8-10-15/h6-12,14,21H,13H2,1-5H3.
What are the key properties of (4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)methanol?
(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)methanol has a molecular weight of 282.43 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)methanol is sourced from PubChem (CID 57397476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).