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

C21H28O — CID 57397531

IUPAC[4-tert-butyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]methanol
SMILESCc1cccc(-c2cc(C(C)(C)C)cc(C(C)C)c2CO)c1
InChIInChI=1S/C21H28O/c1-14(2)18-11-17(21(4,5)6)12-19(20(18)13-22)16-9-7-8-15(3)10-16/h7-12,14,22H,13H2,1-6H3
InChIKeyGTUKAFVZSHMPTA-UHFFFAOYSA-N
MW296.45 g/mol
LogP5.58
Rot. Bonds3

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

[4-tert-butyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]methanol (PubChem CID 57397531) has the molecular formula C21H28O and a molecular weight of 296.45 g/mol. Its IUPAC name is [4-tert-butyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]methanol
PubChem CID57397531
Molecular FormulaC21H28O
Molecular Weight296.45 g/mol
Exact Mass296.21
IUPAC Name[4-tert-butyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]methanol
SMILESCc1cccc(-c2cc(C(C)(C)C)cc(C(C)C)c2CO)c1
InChIInChI=1S/C21H28O/c1-14(2)18-11-17(21(4,5)6)12-19(20(18)13-22)16-9-7-8-15(3)10-16/h7-12,14,22H,13H2,1-6H3
InChIKeyGTUKAFVZSHMPTA-UHFFFAOYSA-N
XLogP5.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.45
LogP ≤ 55.58
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-methylphenyl)-6-propan-2-ylphenyl]methanol?
The IUPAC name of [4-tert-butyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]methanol (CID 57397531) is [4-tert-butyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]methanol.
What is the SMILES notation for [4-tert-butyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]methanol?
The canonical SMILES for [4-tert-butyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]methanol is Cc1cccc(-c2cc(C(C)(C)C)cc(C(C)C)c2CO)c1.
What is the InChIKey of [4-tert-butyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]methanol?
The InChIKey is GTUKAFVZSHMPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O/c1-14(2)18-11-17(21(4,5)6)12-19(20(18)13-22)16-9-7-8-15(3)10-16/h7-12,14,22H,13H2,1-6H3.
What are the key properties of [4-tert-butyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]methanol?
[4-tert-butyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]methanol has a molecular weight of 296.45 g/mol, XLogP of 5.58, 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-(3-methylphenyl)-6-propan-2-ylphenyl]methanol is sourced from PubChem (CID 57397531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).