4-[1-(4-hydroxyphenyl)-1-[4-(4-naphthalen-2-ylphenyl)phenyl]ethyl]phenol

C36H28O2 — CID 176584463

IUPAC4-[1-(4-hydroxyphenyl)-1-[4-(4-naphthalen-2-ylphenyl)phenyl]ethyl]phenol
SMILESCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C36H28O2/c1-36(32-16-20-34(37)21-17-32,33-18-22-35(38)23-19-33)31-14-12-27(13-15-31)26-6-8-28(9-7-26)30-11-10-25-4-2-3-5-29(25)24-30/h2-24,37-38H,1H3
InChIKeyWXWPYOOSKATMPM-UHFFFAOYSA-N
MW492.62 g/mol
LogP8.94
Rot. Bonds5

About 4-[1-(4-hydroxyphenyl)-1-[4-(4-naphthalen-2-ylphenyl)phenyl]ethyl]phenol

4-[1-(4-hydroxyphenyl)-1-[4-(4-naphthalen-2-ylphenyl)phenyl]ethyl]phenol (PubChem CID 176584463) has the molecular formula C36H28O2 and a molecular weight of 492.62 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-1-[4-(4-naphthalen-2-ylphenyl)phenyl]ethyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-1-[4-(4-naphthalen-2-ylphenyl)phenyl]ethyl]phenol
PubChem CID176584463
Molecular FormulaC36H28O2
Molecular Weight492.62 g/mol
Exact Mass492.21
IUPAC Name4-[1-(4-hydroxyphenyl)-1-[4-(4-naphthalen-2-ylphenyl)phenyl]ethyl]phenol
SMILESCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C36H28O2/c1-36(32-16-20-34(37)21-17-32,33-18-22-35(38)23-19-33)31-14-12-27(13-15-31)26-6-8-28(9-7-26)30-11-10-25-4-2-3-5-29(25)24-30/h2-24,37-38H,1H3
InChIKeyWXWPYOOSKATMPM-UHFFFAOYSA-N
XLogP8.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 58.94
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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Related Compounds

4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 160883594
2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 171056262
2-[4-(trifluoromethyl)phenyl]naphthalene
CID 11448652
4-tert-butyl-2-naphthalen-2-ylphenol
CID 118868504
4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol
CID 90294470
6-(4-hydroxyphenyl)naphthalen-2-ol;methane
CID 69476314
2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
CID 159502457
2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene
CID 59342691
benzo[f]azulene
CID 13065869
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 19875161
3-methoxy-5-naphthalen-2-ylphenol
CID 53220916
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol;tungsten
CID 158462536

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-1-[4-(4-naphthalen-2-ylphenyl)phenyl]ethyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-1-[4-(4-naphthalen-2-ylphenyl)phenyl]ethyl]phenol (CID 176584463) is 4-[1-(4-hydroxyphenyl)-1-[4-(4-naphthalen-2-ylphenyl)phenyl]ethyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-1-[4-(4-naphthalen-2-ylphenyl)phenyl]ethyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-1-[4-(4-naphthalen-2-ylphenyl)phenyl]ethyl]phenol is CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-1-[4-(4-naphthalen-2-ylphenyl)phenyl]ethyl]phenol?
The InChIKey is WXWPYOOSKATMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28O2/c1-36(32-16-20-34(37)21-17-32,33-18-22-35(38)23-19-33)31-14-12-27(13-15-31)26-6-8-28(9-7-26)30-11-10-25-4-2-3-5-29(25)24-30/h2-24,37-38H,1H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-1-[4-(4-naphthalen-2-ylphenyl)phenyl]ethyl]phenol?
4-[1-(4-hydroxyphenyl)-1-[4-(4-naphthalen-2-ylphenyl)phenyl]ethyl]phenol has a molecular weight of 492.62 g/mol, XLogP of 8.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-1-[4-(4-naphthalen-2-ylphenyl)phenyl]ethyl]phenol is sourced from PubChem (CID 176584463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).