4-[(4-hydroxy-3-phenylphenyl)-bis(4-propoxyphenyl)methyl]-2-phenylphenol

C43H40O4 — CID 21277043

IUPAC4-[(4-hydroxy-3-phenylphenyl)-bis(4-propoxyphenyl)methyl]-2-phenylphenol
SMILESCCCOc1ccc(C(c2ccc(OCCC)cc2)(c2ccc(O)c(-c3ccccc3)c2)c2ccc(O)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C43H40O4/c1-3-27-46-37-21-15-33(16-22-37)43(34-17-23-38(24-18-34)47-28-4-2,35-19-25-41(44)39(29-35)31-11-7-5-8-12-31)36-20-26-42(45)40(30-36)32-13-9-6-10-14-32/h5-26,29-30,44-45H,3-4,27-28H2,1-2H3
InChIKeyOQYRZYJAJYWGEL-UHFFFAOYSA-N
MW620.79 g/mol
LogP10.39
Rot. Bonds12

About 4-[(4-hydroxy-3-phenylphenyl)-bis(4-propoxyphenyl)methyl]-2-phenylphenol

4-[(4-hydroxy-3-phenylphenyl)-bis(4-propoxyphenyl)methyl]-2-phenylphenol (PubChem CID 21277043) has the molecular formula C43H40O4 and a molecular weight of 620.79 g/mol. Its IUPAC name is 4-[(4-hydroxy-3-phenylphenyl)-bis(4-propoxyphenyl)methyl]-2-phenylphenol.

Molecular Properties

Compound Name4-[(4-hydroxy-3-phenylphenyl)-bis(4-propoxyphenyl)methyl]-2-phenylphenol
PubChem CID21277043
Molecular FormulaC43H40O4
Molecular Weight620.79 g/mol
Exact Mass620.29
IUPAC Name4-[(4-hydroxy-3-phenylphenyl)-bis(4-propoxyphenyl)methyl]-2-phenylphenol
SMILESCCCOc1ccc(C(c2ccc(OCCC)cc2)(c2ccc(O)c(-c3ccccc3)c2)c2ccc(O)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C43H40O4/c1-3-27-46-37-21-15-33(16-22-37)43(34-17-23-38(24-18-34)47-28-4-2,35-19-25-41(44)39(29-35)31-11-7-5-8-12-31)36-20-26-42(45)40(30-36)32-13-9-6-10-14-32/h5-26,29-30,44-45H,3-4,27-28H2,1-2H3
InChIKeyOQYRZYJAJYWGEL-UHFFFAOYSA-N
XLogP10.39
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.79
LogP ≤ 510.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[(4-hydroxy-3-phenylphenyl)-bis(4-propoxyphenyl)methyl]-2-phenylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(4-hydroxy-3-phenylphenyl)-1-phenylbutyl]-2-phenylphenol
CID 23363495
4-[2-(4-hydroxy-3-phenylphenyl)butan-2-yl]-2-phenylphenol
CID 23363497
5-butoxy-2-phenylphenol
CID 70451587
4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 139680457
1-heptoxy-4-[(4-heptoxyphenyl)-diphenylmethyl]benzene
CID 118498507
(2-phenyl-4-propoxyphenyl)methanol
CID 134112799
2-phenyl-4-(2-phenylethoxy)phenol
CID 57032824
3-[4-[[4-(3-hydroxypropoxy)-3-phenylphenyl]-diphenylmethyl]-2-phenylphenoxy]propan-1-ol
CID 141468799
4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)pentyl]-2-phenylphenol
CID 21277063
4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol
CID 169187760
4-[1-(4-hydroxy-3-phenylphenyl)-1-(4-methylphenyl)hexyl]-2-phenylphenol
CID 57009241
CID 161224902
CID 161224902

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3-phenylphenyl)-bis(4-propoxyphenyl)methyl]-2-phenylphenol?
The IUPAC name of 4-[(4-hydroxy-3-phenylphenyl)-bis(4-propoxyphenyl)methyl]-2-phenylphenol (CID 21277043) is 4-[(4-hydroxy-3-phenylphenyl)-bis(4-propoxyphenyl)methyl]-2-phenylphenol.
What is the SMILES notation for 4-[(4-hydroxy-3-phenylphenyl)-bis(4-propoxyphenyl)methyl]-2-phenylphenol?
The canonical SMILES for 4-[(4-hydroxy-3-phenylphenyl)-bis(4-propoxyphenyl)methyl]-2-phenylphenol is CCCOc1ccc(C(c2ccc(OCCC)cc2)(c2ccc(O)c(-c3ccccc3)c2)c2ccc(O)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-[(4-hydroxy-3-phenylphenyl)-bis(4-propoxyphenyl)methyl]-2-phenylphenol?
The InChIKey is OQYRZYJAJYWGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40O4/c1-3-27-46-37-21-15-33(16-22-37)43(34-17-23-38(24-18-34)47-28-4-2,35-19-25-41(44)39(29-35)31-11-7-5-8-12-31)36-20-26-42(45)40(30-36)32-13-9-6-10-14-32/h5-26,29-30,44-45H,3-4,27-28H2,1-2H3.
What are the key properties of 4-[(4-hydroxy-3-phenylphenyl)-bis(4-propoxyphenyl)methyl]-2-phenylphenol?
4-[(4-hydroxy-3-phenylphenyl)-bis(4-propoxyphenyl)methyl]-2-phenylphenol has a molecular weight of 620.79 g/mol, XLogP of 10.39, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3-phenylphenyl)-bis(4-propoxyphenyl)methyl]-2-phenylphenol is sourced from PubChem (CID 21277043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).