4-[anilino-[4-hydroxy-3-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]methyl]-2-methyl-3-[(E)-2-(2-methylphenyl)ethenyl]phenol

C39H37NO2 — CID 18958514

IUPAC4-[anilino-[4-hydroxy-3-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]methyl]-2-methyl-3-[(E)-2-(2-methylphenyl)ethenyl]phenol
SMILESCc1ccccc1/C=C/c1c(C(Nc2ccccc2)c2ccc(O)c(C)c2/C=C/c2ccccc2C)ccc(O)c1C
InChIInChI=1S/C39H37NO2/c1-26-12-8-10-14-30(26)18-20-33-28(3)37(41)24-22-35(33)39(40-32-16-6-5-7-17-32)36-23-25-38(42)29(4)34(36)21-19-31-15-11-9-13-27(31)2/h5-25,39-42H,1-4H3/b20-18+,21-19+
InChIKeyDVHWEIFUURPKLL-FRCMOREXSA-N
MW551.73 g/mol
LogP9.87
Rot. Bonds8

About 4-[anilino-[4-hydroxy-3-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]methyl]-2-methyl-3-[(E)-2-(2-methylphenyl)ethenyl]phenol

4-[anilino-[4-hydroxy-3-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]methyl]-2-methyl-3-[(E)-2-(2-methylphenyl)ethenyl]phenol (PubChem CID 18958514) has the molecular formula C39H37NO2 and a molecular weight of 551.73 g/mol. Its IUPAC name is 4-[anilino-[4-hydroxy-3-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]methyl]-2-methyl-3-[(E)-2-(2-methylphenyl)ethenyl]phenol.

Molecular Properties

Compound Name4-[anilino-[4-hydroxy-3-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]methyl]-2-methyl-3-[(E)-2-(2-methylphenyl)ethenyl]phenol
PubChem CID18958514
Molecular FormulaC39H37NO2
Molecular Weight551.73 g/mol
Exact Mass551.28
IUPAC Name4-[anilino-[4-hydroxy-3-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]methyl]-2-methyl-3-[(E)-2-(2-methylphenyl)ethenyl]phenol
SMILESCc1ccccc1/C=C/c1c(C(Nc2ccccc2)c2ccc(O)c(C)c2/C=C/c2ccccc2C)ccc(O)c1C
InChIInChI=1S/C39H37NO2/c1-26-12-8-10-14-30(26)18-20-33-28(3)37(41)24-22-35(33)39(40-32-16-6-5-7-17-32)36-23-25-38(42)29(4)34(36)21-19-31-15-11-9-13-27(31)2/h5-25,39-42H,1-4H3/b20-18+,21-19+
InChIKeyDVHWEIFUURPKLL-FRCMOREXSA-N
XLogP9.87
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.73
LogP ≤ 59.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[anilino-[4-hydroxy-3-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]methyl]-2-methyl-3-[(E)-2-(2-methylphenyl)ethenyl]phenol?
The IUPAC name of 4-[anilino-[4-hydroxy-3-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]methyl]-2-methyl-3-[(E)-2-(2-methylphenyl)ethenyl]phenol (CID 18958514) is 4-[anilino-[4-hydroxy-3-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]methyl]-2-methyl-3-[(E)-2-(2-methylphenyl)ethenyl]phenol.
What is the SMILES notation for 4-[anilino-[4-hydroxy-3-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]methyl]-2-methyl-3-[(E)-2-(2-methylphenyl)ethenyl]phenol?
The canonical SMILES for 4-[anilino-[4-hydroxy-3-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]methyl]-2-methyl-3-[(E)-2-(2-methylphenyl)ethenyl]phenol is Cc1ccccc1/C=C/c1c(C(Nc2ccccc2)c2ccc(O)c(C)c2/C=C/c2ccccc2C)ccc(O)c1C.
What is the InChIKey of 4-[anilino-[4-hydroxy-3-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]methyl]-2-methyl-3-[(E)-2-(2-methylphenyl)ethenyl]phenol?
The InChIKey is DVHWEIFUURPKLL-FRCMOREXSA-N. The full InChI is InChI=1S/C39H37NO2/c1-26-12-8-10-14-30(26)18-20-33-28(3)37(41)24-22-35(33)39(40-32-16-6-5-7-17-32)36-23-25-38(42)29(4)34(36)21-19-31-15-11-9-13-27(31)2/h5-25,39-42H,1-4H3/b20-18+,21-19+.
What are the key properties of 4-[anilino-[4-hydroxy-3-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]methyl]-2-methyl-3-[(E)-2-(2-methylphenyl)ethenyl]phenol?
4-[anilino-[4-hydroxy-3-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]methyl]-2-methyl-3-[(E)-2-(2-methylphenyl)ethenyl]phenol has a molecular weight of 551.73 g/mol, XLogP of 9.87, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[anilino-[4-hydroxy-3-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]methyl]-2-methyl-3-[(E)-2-(2-methylphenyl)ethenyl]phenol is sourced from PubChem (CID 18958514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).