4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol

C35H42O4 — CID 67024119

IUPAC4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol
SMILESCc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)ccc1O.Cc1cc(C(C)(C)c2ccc(O)cc2)cc(C)c1O
InChIInChI=1S/C18H22O2.C17H20O2/c1-11-8-14(6-7-16(11)19)18(4,5)15-9-12(2)17(20)13(3)10-15;1-11-9-14(10-12(2)16(11)19)17(3,4)13-5-7-15(18)8-6-13/h6-10,19-20H,1-5H3;5-10,18-19H,1-4H3
InChIKeyMMZVYYJSROCECP-UHFFFAOYSA-N
MW526.72 g/mol
LogP8.39
Rot. Bonds4

About 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol

4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol (PubChem CID 67024119) has the molecular formula C35H42O4 and a molecular weight of 526.72 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol
PubChem CID67024119
Molecular FormulaC35H42O4
Molecular Weight526.72 g/mol
Exact Mass526.31
IUPAC Name4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol
SMILESCc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)ccc1O.Cc1cc(C(C)(C)c2ccc(O)cc2)cc(C)c1O
InChIInChI=1S/C18H22O2.C17H20O2/c1-11-8-14(6-7-16(11)19)18(4,5)15-9-12(2)17(20)13(3)10-15;1-11-9-14(10-12(2)16(11)19)17(3,4)13-5-7-15(18)8-6-13/h6-10,19-20H,1-5H3;5-10,18-19H,1-4H3
InChIKeyMMZVYYJSROCECP-UHFFFAOYSA-N
XLogP8.39
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.72
LogP ≤ 58.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol?
The IUPAC name of 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol (CID 67024119) is 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol?
The canonical SMILES for 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol is Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)ccc1O.Cc1cc(C(C)(C)c2ccc(O)cc2)cc(C)c1O.
What is the InChIKey of 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol?
The InChIKey is MMZVYYJSROCECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2.C17H20O2/c1-11-8-14(6-7-16(11)19)18(4,5)15-9-12(2)17(20)13(3)10-15;1-11-9-14(10-12(2)16(11)19)17(3,4)13-5-7-15(18)8-6-13/h6-10,19-20H,1-5H3;5-10,18-19H,1-4H3.
What are the key properties of 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol?
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol has a molecular weight of 526.72 g/mol, XLogP of 8.39, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol is sourced from PubChem (CID 67024119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).