2-[5-(1,1-dinaphthalen-1-ylethyl)-2-hydroxyphenyl]-4-methylphenol

C35H28O2 — CID 118264416

IUPAC2-[5-(1,1-dinaphthalen-1-ylethyl)-2-hydroxyphenyl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cc(C(C)(c3cccc4ccccc34)c3cccc4ccccc34)ccc2O)c1
InChIInChI=1S/C35H28O2/c1-23-17-19-33(36)29(21-23)30-22-26(18-20-34(30)37)35(2,31-15-7-11-24-9-3-5-13-27(24)31)32-16-8-12-25-10-4-6-14-28(25)32/h3-22,36-37H,1-2H3
InChIKeyJMQYJUYEIXRROG-UHFFFAOYSA-N
MW480.61 g/mol
LogP8.73
Rot. Bonds4

About 2-[5-(1,1-dinaphthalen-1-ylethyl)-2-hydroxyphenyl]-4-methylphenol

2-[5-(1,1-dinaphthalen-1-ylethyl)-2-hydroxyphenyl]-4-methylphenol (PubChem CID 118264416) has the molecular formula C35H28O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 2-[5-(1,1-dinaphthalen-1-ylethyl)-2-hydroxyphenyl]-4-methylphenol.

Molecular Properties

Compound Name2-[5-(1,1-dinaphthalen-1-ylethyl)-2-hydroxyphenyl]-4-methylphenol
PubChem CID118264416
Molecular FormulaC35H28O2
Molecular Weight480.61 g/mol
Exact Mass480.21
IUPAC Name2-[5-(1,1-dinaphthalen-1-ylethyl)-2-hydroxyphenyl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cc(C(C)(c3cccc4ccccc34)c3cccc4ccccc34)ccc2O)c1
InChIInChI=1S/C35H28O2/c1-23-17-19-33(36)29(21-23)30-22-26(18-20-34(30)37)35(2,31-15-7-11-24-9-3-5-13-27(24)31)32-16-8-12-25-10-4-6-14-28(25)32/h3-22,36-37H,1-2H3
InChIKeyJMQYJUYEIXRROG-UHFFFAOYSA-N
XLogP8.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 58.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,1-dinaphthalen-1-ylethyl)-2-hydroxyphenyl]-4-methylphenol?
The IUPAC name of 2-[5-(1,1-dinaphthalen-1-ylethyl)-2-hydroxyphenyl]-4-methylphenol (CID 118264416) is 2-[5-(1,1-dinaphthalen-1-ylethyl)-2-hydroxyphenyl]-4-methylphenol.
What is the SMILES notation for 2-[5-(1,1-dinaphthalen-1-ylethyl)-2-hydroxyphenyl]-4-methylphenol?
The canonical SMILES for 2-[5-(1,1-dinaphthalen-1-ylethyl)-2-hydroxyphenyl]-4-methylphenol is Cc1ccc(O)c(-c2cc(C(C)(c3cccc4ccccc34)c3cccc4ccccc34)ccc2O)c1.
What is the InChIKey of 2-[5-(1,1-dinaphthalen-1-ylethyl)-2-hydroxyphenyl]-4-methylphenol?
The InChIKey is JMQYJUYEIXRROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28O2/c1-23-17-19-33(36)29(21-23)30-22-26(18-20-34(30)37)35(2,31-15-7-11-24-9-3-5-13-27(24)31)32-16-8-12-25-10-4-6-14-28(25)32/h3-22,36-37H,1-2H3.
What are the key properties of 2-[5-(1,1-dinaphthalen-1-ylethyl)-2-hydroxyphenyl]-4-methylphenol?
2-[5-(1,1-dinaphthalen-1-ylethyl)-2-hydroxyphenyl]-4-methylphenol has a molecular weight of 480.61 g/mol, XLogP of 8.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,1-dinaphthalen-1-ylethyl)-2-hydroxyphenyl]-4-methylphenol is sourced from PubChem (CID 118264416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).