4-[1-(4-hydroxyphenyl)-1-[2-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]phenol

C34H31NO2 — CID 18400475

IUPAC4-[1-(4-hydroxyphenyl)-1-[2-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]phenol
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccccc2C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C34H31NO2/c1-24-8-16-28(17-9-24)35(29-18-10-25(2)11-19-29)33-7-5-4-6-32(33)34(3,26-12-20-30(36)21-13-26)27-14-22-31(37)23-15-27/h4-23,36-37H,1-3H3
InChIKeyBFLZTSORFANETQ-UHFFFAOYSA-N
MW485.63 g/mol
LogP8.54
Rot. Bonds6

About 4-[1-(4-hydroxyphenyl)-1-[2-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]phenol

4-[1-(4-hydroxyphenyl)-1-[2-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]phenol (PubChem CID 18400475) has the molecular formula C34H31NO2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-1-[2-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-1-[2-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]phenol
PubChem CID18400475
Molecular FormulaC34H31NO2
Molecular Weight485.63 g/mol
Exact Mass485.24
IUPAC Name4-[1-(4-hydroxyphenyl)-1-[2-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]phenol
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccccc2C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C34H31NO2/c1-24-8-16-28(17-9-24)35(29-18-10-25(2)11-19-29)33-7-5-4-6-32(33)34(3,26-12-20-30(36)21-13-26)27-14-22-31(37)23-15-27/h4-23,36-37H,1-3H3
InChIKeyBFLZTSORFANETQ-UHFFFAOYSA-N
XLogP8.54
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 58.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-[1-(4-hydroxyphenyl)-1-[2-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-1-[2-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]phenol (CID 18400475) is 4-[1-(4-hydroxyphenyl)-1-[2-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-1-[2-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-1-[2-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]phenol is Cc1ccc(N(c2ccc(C)cc2)c2ccccc2C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-1-[2-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]phenol?
The InChIKey is BFLZTSORFANETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31NO2/c1-24-8-16-28(17-9-24)35(29-18-10-25(2)11-19-29)33-7-5-4-6-32(33)34(3,26-12-20-30(36)21-13-26)27-14-22-31(37)23-15-27/h4-23,36-37H,1-3H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-1-[2-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]phenol?
4-[1-(4-hydroxyphenyl)-1-[2-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]phenol has a molecular weight of 485.63 g/mol, XLogP of 8.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-1-[2-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]phenol is sourced from PubChem (CID 18400475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).