2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-cyclohexylmethyl]-4-methyl-6-prop-1-en-2-ylphenol

C28H38O2 — CID 89141539

IUPAC2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-cyclohexylmethyl]-4-methyl-6-prop-1-en-2-ylphenol
SMILESC=C(C)c1cc(C)cc(C(c2cc(C)cc(C(C)(C)C)c2O)C2CCCCC2)c1O
InChIInChI=1S/C28H38O2/c1-17(2)21-13-18(3)14-22(26(21)29)25(20-11-9-8-10-12-20)23-15-19(4)16-24(27(23)30)28(5,6)7/h13-16,20,25,29-30H,1,8-12H2,2-7H3
InChIKeyHJNOLLKTEKLTTQ-UHFFFAOYSA-N
MW406.61 g/mol
LogP7.76
Rot. Bonds4

About 2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-cyclohexylmethyl]-4-methyl-6-prop-1-en-2-ylphenol

2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-cyclohexylmethyl]-4-methyl-6-prop-1-en-2-ylphenol (PubChem CID 89141539) has the molecular formula C28H38O2 and a molecular weight of 406.61 g/mol. Its IUPAC name is 2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-cyclohexylmethyl]-4-methyl-6-prop-1-en-2-ylphenol.

Molecular Properties

Compound Name2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-cyclohexylmethyl]-4-methyl-6-prop-1-en-2-ylphenol
PubChem CID89141539
Molecular FormulaC28H38O2
Molecular Weight406.61 g/mol
Exact Mass406.29
IUPAC Name2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-cyclohexylmethyl]-4-methyl-6-prop-1-en-2-ylphenol
SMILESC=C(C)c1cc(C)cc(C(c2cc(C)cc(C(C)(C)C)c2O)C2CCCCC2)c1O
InChIInChI=1S/C28H38O2/c1-17(2)21-13-18(3)14-22(26(21)29)25(20-11-9-8-10-12-20)23-15-19(4)16-24(27(23)30)28(5,6)7/h13-16,20,25,29-30H,1,8-12H2,2-7H3
InChIKeyHJNOLLKTEKLTTQ-UHFFFAOYSA-N
XLogP7.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.61
LogP ≤ 57.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-cyclohexylmethyl]-4-methyl-6-prop-1-en-2-ylphenol?
The IUPAC name of 2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-cyclohexylmethyl]-4-methyl-6-prop-1-en-2-ylphenol (CID 89141539) is 2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-cyclohexylmethyl]-4-methyl-6-prop-1-en-2-ylphenol.
What is the SMILES notation for 2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-cyclohexylmethyl]-4-methyl-6-prop-1-en-2-ylphenol?
The canonical SMILES for 2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-cyclohexylmethyl]-4-methyl-6-prop-1-en-2-ylphenol is C=C(C)c1cc(C)cc(C(c2cc(C)cc(C(C)(C)C)c2O)C2CCCCC2)c1O.
What is the InChIKey of 2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-cyclohexylmethyl]-4-methyl-6-prop-1-en-2-ylphenol?
The InChIKey is HJNOLLKTEKLTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O2/c1-17(2)21-13-18(3)14-22(26(21)29)25(20-11-9-8-10-12-20)23-15-19(4)16-24(27(23)30)28(5,6)7/h13-16,20,25,29-30H,1,8-12H2,2-7H3.
What are the key properties of 2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-cyclohexylmethyl]-4-methyl-6-prop-1-en-2-ylphenol?
2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-cyclohexylmethyl]-4-methyl-6-prop-1-en-2-ylphenol has a molecular weight of 406.61 g/mol, XLogP of 7.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-cyclohexylmethyl]-4-methyl-6-prop-1-en-2-ylphenol is sourced from PubChem (CID 89141539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).