4-[2-[3-[2-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol

C47H44O2 — CID 153433860

IUPAC4-[2-[3-[2-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
SMILESCc1cc(C(C)(C)c2cccc(C(C)(C)c3ccc(O)c(C(C)(c4cccc5ccccc45)c4cccc5ccccc45)c3)c2)ccc1O
InChIInChI=1S/C47H44O2/c1-31-28-36(24-26-43(31)48)45(2,3)34-18-13-19-35(29-34)46(4,5)37-25-27-44(49)42(30-37)47(6,40-22-11-16-32-14-7-9-20-38(32)40)41-23-12-17-33-15-8-10-21-39(33)41/h7-30,48-49H,1-6H3
InChIKeyADNUDNBSVDIUKP-UHFFFAOYSA-N
MW640.87 g/mol
LogP11.72
Rot. Bonds7

About 4-[2-[3-[2-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol

4-[2-[3-[2-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol (PubChem CID 153433860) has the molecular formula C47H44O2 and a molecular weight of 640.87 g/mol. Its IUPAC name is 4-[2-[3-[2-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[2-[3-[2-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
PubChem CID153433860
Molecular FormulaC47H44O2
Molecular Weight640.87 g/mol
Exact Mass640.33
IUPAC Name4-[2-[3-[2-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
SMILESCc1cc(C(C)(C)c2cccc(C(C)(C)c3ccc(O)c(C(C)(c4cccc5ccccc45)c4cccc5ccccc45)c3)c2)ccc1O
InChIInChI=1S/C47H44O2/c1-31-28-36(24-26-43(31)48)45(2,3)34-18-13-19-35(29-34)46(4,5)37-25-27-44(49)42(30-37)47(6,40-22-11-16-32-14-7-9-20-38(32)40)41-23-12-17-33-15-8-10-21-39(33)41/h7-30,48-49H,1-6H3
InChIKeyADNUDNBSVDIUKP-UHFFFAOYSA-N
XLogP11.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.87
LogP ≤ 511.72
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-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]-2-methylphenol
CID 118264402
4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 23033100
4-[2-[4-[2-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[3-(1,1-diphenylethyl)-4-hydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(9-methylfluoren-9-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-[1-(4-phenylphenyl)ethyl]phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;molecular fluorine;hydrofluoride
CID 160552408
2-[1-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1-(2-hydroxyphenyl)ethyl]-3-methylphenol
CID 150513820
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
2-[5-(1,1-dinaphthalen-1-ylethyl)-2-hydroxyphenyl]-4-methylphenol
CID 118264416
2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 141474948
4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 144899041
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-[1-(4-hydroxy-3-naphthalen-1-ylphenyl)-1-phenylethyl]-2-naphthalen-1-ylphenol
CID 139838348

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol?
The IUPAC name of 4-[2-[3-[2-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol (CID 153433860) is 4-[2-[3-[2-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol.
What is the SMILES notation for 4-[2-[3-[2-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol?
The canonical SMILES for 4-[2-[3-[2-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol is Cc1cc(C(C)(C)c2cccc(C(C)(C)c3ccc(O)c(C(C)(c4cccc5ccccc45)c4cccc5ccccc45)c3)c2)ccc1O.
What is the InChIKey of 4-[2-[3-[2-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol?
The InChIKey is ADNUDNBSVDIUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H44O2/c1-31-28-36(24-26-43(31)48)45(2,3)34-18-13-19-35(29-34)46(4,5)37-25-27-44(49)42(30-37)47(6,40-22-11-16-32-14-7-9-20-38(32)40)41-23-12-17-33-15-8-10-21-39(33)41/h7-30,48-49H,1-6H3.
What are the key properties of 4-[2-[3-[2-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol?
4-[2-[3-[2-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol has a molecular weight of 640.87 g/mol, XLogP of 11.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol is sourced from PubChem (CID 153433860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).