4-[1-(4-hydroxyphenyl)-1-[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]propyl]phenol

C35H33NO4 — CID 67674762

IUPAC4-[1-(4-hydroxyphenyl)-1-[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]propyl]phenol
SMILESCCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(N(c2ccccc2OC)c2ccccc2OC)cc1
InChIInChI=1S/C35H33NO4/c1-4-35(26-15-21-29(37)22-16-26,27-17-23-30(38)24-18-27)25-13-19-28(20-14-25)36(31-9-5-7-11-33(31)39-2)32-10-6-8-12-34(32)40-3/h5-24,37-38H,4H2,1-3H3
InChIKeyXQFAOMYTNHIOPB-UHFFFAOYSA-N
MW531.65 g/mol
LogP8.33
Rot. Bonds9

About 4-[1-(4-hydroxyphenyl)-1-[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]propyl]phenol

4-[1-(4-hydroxyphenyl)-1-[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]propyl]phenol (PubChem CID 67674762) has the molecular formula C35H33NO4 and a molecular weight of 531.65 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-1-[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]propyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-1-[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]propyl]phenol
PubChem CID67674762
Molecular FormulaC35H33NO4
Molecular Weight531.65 g/mol
Exact Mass531.24
IUPAC Name4-[1-(4-hydroxyphenyl)-1-[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]propyl]phenol
SMILESCCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(N(c2ccccc2OC)c2ccccc2OC)cc1
InChIInChI=1S/C35H33NO4/c1-4-35(26-15-21-29(37)22-16-26,27-17-23-30(38)24-18-27)25-13-19-28(20-14-25)36(31-9-5-7-11-33(31)39-2)32-10-6-8-12-34(32)40-3/h5-24,37-38H,4H2,1-3H3
InChIKeyXQFAOMYTNHIOPB-UHFFFAOYSA-N
XLogP8.33
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.65
LogP ≤ 58.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]propyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-1-[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]propyl]phenol (CID 67674762) is 4-[1-(4-hydroxyphenyl)-1-[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]propyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-1-[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]propyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-1-[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]propyl]phenol is CCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(N(c2ccccc2OC)c2ccccc2OC)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-1-[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]propyl]phenol?
The InChIKey is XQFAOMYTNHIOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33NO4/c1-4-35(26-15-21-29(37)22-16-26,27-17-23-30(38)24-18-27)25-13-19-28(20-14-25)36(31-9-5-7-11-33(31)39-2)32-10-6-8-12-34(32)40-3/h5-24,37-38H,4H2,1-3H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-1-[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]propyl]phenol?
4-[1-(4-hydroxyphenyl)-1-[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]propyl]phenol has a molecular weight of 531.65 g/mol, XLogP of 8.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-1-[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]propyl]phenol is sourced from PubChem (CID 67674762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).