2-(3,5-dimethylphenyl)-4-[3-[3-(3,5-dimethylphenyl)-4-hydroxyphenyl]-3-methylbutyl]phenol

C33H36O2 — CID 174699015

IUPAC2-(3,5-dimethylphenyl)-4-[3-[3-(3,5-dimethylphenyl)-4-hydroxyphenyl]-3-methylbutyl]phenol
SMILESCc1cc(C)cc(-c2cc(CCC(C)(C)c3ccc(O)c(-c4cc(C)cc(C)c4)c3)ccc2O)c1
InChIInChI=1S/C33H36O2/c1-21-13-22(2)16-26(15-21)29-19-25(7-9-31(29)34)11-12-33(5,6)28-8-10-32(35)30(20-28)27-17-23(3)14-24(4)18-27/h7-10,13-20,34-35H,11-12H2,1-6H3
InChIKeyIKSBYDKLFLRGRH-UHFFFAOYSA-N
MW464.65 g/mol
LogP8.58
Rot. Bonds6

About 2-(3,5-dimethylphenyl)-4-[3-[3-(3,5-dimethylphenyl)-4-hydroxyphenyl]-3-methylbutyl]phenol

2-(3,5-dimethylphenyl)-4-[3-[3-(3,5-dimethylphenyl)-4-hydroxyphenyl]-3-methylbutyl]phenol (PubChem CID 174699015) has the molecular formula C33H36O2 and a molecular weight of 464.65 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-4-[3-[3-(3,5-dimethylphenyl)-4-hydroxyphenyl]-3-methylbutyl]phenol.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-4-[3-[3-(3,5-dimethylphenyl)-4-hydroxyphenyl]-3-methylbutyl]phenol
PubChem CID174699015
Molecular FormulaC33H36O2
Molecular Weight464.65 g/mol
Exact Mass464.27
IUPAC Name2-(3,5-dimethylphenyl)-4-[3-[3-(3,5-dimethylphenyl)-4-hydroxyphenyl]-3-methylbutyl]phenol
SMILESCc1cc(C)cc(-c2cc(CCC(C)(C)c3ccc(O)c(-c4cc(C)cc(C)c4)c3)ccc2O)c1
InChIInChI=1S/C33H36O2/c1-21-13-22(2)16-26(15-21)29-19-25(7-9-31(29)34)11-12-33(5,6)28-8-10-32(35)30(20-28)27-17-23(3)14-24(4)18-27/h7-10,13-20,34-35H,11-12H2,1-6H3
InChIKeyIKSBYDKLFLRGRH-UHFFFAOYSA-N
XLogP8.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 58.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-dimethylphenyl)-4-[3-[3-(3,5-dimethylphenyl)-4-hydroxyphenyl]-3-methylbutyl]phenol with MolForge

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Related Compounds

2-(3,5-dimethylphenyl)-4-methylphenol
CID 83128988
4-butyl-2-(3,5-ditert-butylphenyl)phenol
CID 141194597
4-[[4-hydroxy-3-(4-methylphenyl)phenyl]methyl]-2-(4-methylphenyl)phenol
CID 22492712
2-(3-hydroxy-5-methylphenyl)-4,5-dimethylphenol
CID 101299256
2-(3-tert-butylphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 159896343
2-(3-hydroxy-5-methylphenyl)benzene-1,4-diol
CID 101299746
2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol
CID 54333604
1-[4-[4-[3,4-bis(hydroxymethyl)phenyl]-2-methylbutan-2-yl]-2-methylphenyl]sulfanyl-3-methylbutan-2-ol
CID 10341872
3-(3,5-dimethylphenyl)-4-hydroxybenzenesulfinic acid
CID 174500064
2-[2-hydroxy-3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 102323518
2-(5-butyl-2-hydroxyphenyl)-4-methylphenol
CID 58663399
2-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)-4-hydroxyphenyl]sulfanyloxysulfanylphenol
CID 174505823

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-4-[3-[3-(3,5-dimethylphenyl)-4-hydroxyphenyl]-3-methylbutyl]phenol?
The IUPAC name of 2-(3,5-dimethylphenyl)-4-[3-[3-(3,5-dimethylphenyl)-4-hydroxyphenyl]-3-methylbutyl]phenol (CID 174699015) is 2-(3,5-dimethylphenyl)-4-[3-[3-(3,5-dimethylphenyl)-4-hydroxyphenyl]-3-methylbutyl]phenol.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-4-[3-[3-(3,5-dimethylphenyl)-4-hydroxyphenyl]-3-methylbutyl]phenol?
The canonical SMILES for 2-(3,5-dimethylphenyl)-4-[3-[3-(3,5-dimethylphenyl)-4-hydroxyphenyl]-3-methylbutyl]phenol is Cc1cc(C)cc(-c2cc(CCC(C)(C)c3ccc(O)c(-c4cc(C)cc(C)c4)c3)ccc2O)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-4-[3-[3-(3,5-dimethylphenyl)-4-hydroxyphenyl]-3-methylbutyl]phenol?
The InChIKey is IKSBYDKLFLRGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O2/c1-21-13-22(2)16-26(15-21)29-19-25(7-9-31(29)34)11-12-33(5,6)28-8-10-32(35)30(20-28)27-17-23(3)14-24(4)18-27/h7-10,13-20,34-35H,11-12H2,1-6H3.
What are the key properties of 2-(3,5-dimethylphenyl)-4-[3-[3-(3,5-dimethylphenyl)-4-hydroxyphenyl]-3-methylbutyl]phenol?
2-(3,5-dimethylphenyl)-4-[3-[3-(3,5-dimethylphenyl)-4-hydroxyphenyl]-3-methylbutyl]phenol has a molecular weight of 464.65 g/mol, XLogP of 8.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-4-[3-[3-(3,5-dimethylphenyl)-4-hydroxyphenyl]-3-methylbutyl]phenol is sourced from PubChem (CID 174699015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).