4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol

C34H40O4 — CID 159058899

IUPAC4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
SMILESCc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O.Cc1cc(Cc2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/2C17H20O2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15;1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-8,18-19H,9H2,1-4H3;5-10,18-19H,1-4H3
InChIKeyJYFCAKXDMOOANP-UHFFFAOYSA-N
MW512.69 g/mol
LogP7.96
Rot. Bonds4

About 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol

4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol (PubChem CID 159058899) has the molecular formula C34H40O4 and a molecular weight of 512.69 g/mol. Its IUPAC name is 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
PubChem CID159058899
Molecular FormulaC34H40O4
Molecular Weight512.69 g/mol
Exact Mass512.29
IUPAC Name4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
SMILESCc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O.Cc1cc(Cc2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/2C17H20O2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15;1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-8,18-19H,9H2,1-4H3;5-10,18-19H,1-4H3
InChIKeyJYFCAKXDMOOANP-UHFFFAOYSA-N
XLogP7.96
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.69
LogP ≤ 57.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67024119
2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 141474948
carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium
CID 169320278
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol
CID 14389009
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 130296994
4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 23033100
4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 144899041
4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
CID 22492711
2-[(5-tert-butyl-2-hydroxyphenyl)methyl]-4-[[3-[(5-tert-butyl-2-hydroxyphenyl)methyl]-4-hydroxy-5-methylphenyl]methyl]-6-methylphenol
CID 68895070
4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 15965769
2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 22925864
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 161473279

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol?
The IUPAC name of 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol (CID 159058899) is 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol.
What is the SMILES notation for 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol?
The canonical SMILES for 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol is Cc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O.Cc1cc(Cc2cc(C)c(O)c(C)c2)cc(C)c1O.
What is the InChIKey of 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol?
The InChIKey is JYFCAKXDMOOANP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H20O2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15;1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-8,18-19H,9H2,1-4H3;5-10,18-19H,1-4H3.
What are the key properties of 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol?
4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol has a molecular weight of 512.69 g/mol, XLogP of 7.96, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol is sourced from PubChem (CID 159058899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).