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

C22H30O — CID 57395757

IUPAC[4-tert-butyl-2-(3,4-dimethylphenyl)-6-propan-2-ylphenyl]methanol
SMILESCc1ccc(-c2cc(C(C)(C)C)cc(C(C)C)c2CO)cc1C
InChIInChI=1S/C22H30O/c1-14(2)19-11-18(22(5,6)7)12-20(21(19)13-23)17-9-8-15(3)16(4)10-17/h8-12,14,23H,13H2,1-7H3
InChIKeyXGJTXYKEBKDNCR-UHFFFAOYSA-N
MW310.48 g/mol
LogP5.88
Rot. Bonds3

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

[4-tert-butyl-2-(3,4-dimethylphenyl)-6-propan-2-ylphenyl]methanol (PubChem CID 57395757) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is [4-tert-butyl-2-(3,4-dimethylphenyl)-6-propan-2-ylphenyl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-(3,4-dimethylphenyl)-6-propan-2-ylphenyl]methanol
PubChem CID57395757
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name[4-tert-butyl-2-(3,4-dimethylphenyl)-6-propan-2-ylphenyl]methanol
SMILESCc1ccc(-c2cc(C(C)(C)C)cc(C(C)C)c2CO)cc1C
InChIInChI=1S/C22H30O/c1-14(2)19-11-18(22(5,6)7)12-20(21(19)13-23)17-9-8-15(3)16(4)10-17/h8-12,14,23H,13H2,1-7H3
InChIKeyXGJTXYKEBKDNCR-UHFFFAOYSA-N
XLogP5.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 55.88
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-(3,4-dimethylphenyl)-6-propan-2-ylphenyl]methanol?
The IUPAC name of [4-tert-butyl-2-(3,4-dimethylphenyl)-6-propan-2-ylphenyl]methanol (CID 57395757) is [4-tert-butyl-2-(3,4-dimethylphenyl)-6-propan-2-ylphenyl]methanol.
What is the SMILES notation for [4-tert-butyl-2-(3,4-dimethylphenyl)-6-propan-2-ylphenyl]methanol?
The canonical SMILES for [4-tert-butyl-2-(3,4-dimethylphenyl)-6-propan-2-ylphenyl]methanol is Cc1ccc(-c2cc(C(C)(C)C)cc(C(C)C)c2CO)cc1C.
What is the InChIKey of [4-tert-butyl-2-(3,4-dimethylphenyl)-6-propan-2-ylphenyl]methanol?
The InChIKey is XGJTXYKEBKDNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-14(2)19-11-18(22(5,6)7)12-20(21(19)13-23)17-9-8-15(3)16(4)10-17/h8-12,14,23H,13H2,1-7H3.
What are the key properties of [4-tert-butyl-2-(3,4-dimethylphenyl)-6-propan-2-ylphenyl]methanol?
[4-tert-butyl-2-(3,4-dimethylphenyl)-6-propan-2-ylphenyl]methanol has a molecular weight of 310.48 g/mol, XLogP of 5.88, 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-(3,4-dimethylphenyl)-6-propan-2-ylphenyl]methanol is sourced from PubChem (CID 57395757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).