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

C37H28O3 — CID 140882520

IUPAC4-[bis(4-hydroxy-3-phenylphenyl)methyl]-2-phenylphenol
SMILESOc1ccc(C(c2ccc(O)c(-c3ccccc3)c2)c2ccc(O)c(-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C37H28O3/c38-34-19-16-28(22-31(34)25-10-4-1-5-11-25)37(29-17-20-35(39)32(23-29)26-12-6-2-7-13-26)30-18-21-36(40)33(24-30)27-14-8-3-9-15-27/h1-24,37-40H
InChIKeyRDSSKSSOKNSDKT-UHFFFAOYSA-N
MW520.63 g/mol
LogP8.98
Rot. Bonds6

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

4-[bis(4-hydroxy-3-phenylphenyl)methyl]-2-phenylphenol (PubChem CID 140882520) has the molecular formula C37H28O3 and a molecular weight of 520.63 g/mol. Its IUPAC name is 4-[bis(4-hydroxy-3-phenylphenyl)methyl]-2-phenylphenol.

Molecular Properties

Compound Name4-[bis(4-hydroxy-3-phenylphenyl)methyl]-2-phenylphenol
PubChem CID140882520
Molecular FormulaC37H28O3
Molecular Weight520.63 g/mol
Exact Mass520.20
IUPAC Name4-[bis(4-hydroxy-3-phenylphenyl)methyl]-2-phenylphenol
SMILESOc1ccc(C(c2ccc(O)c(-c3ccccc3)c2)c2ccc(O)c(-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C37H28O3/c38-34-19-16-28(22-31(34)25-10-4-1-5-11-25)37(29-17-20-35(39)32(23-29)26-12-6-2-7-13-26)30-18-21-36(40)33(24-30)27-14-8-3-9-15-27/h1-24,37-40H
InChIKeyRDSSKSSOKNSDKT-UHFFFAOYSA-N
XLogP8.98
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 58.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-hydroxy-3-phenylphenyl)ethyl]-2-phenylphenol
CID 22492717
4-(2,2-difluoro-1-hydroxyethyl)-2-phenylphenol
CID 166522785
4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol
CID 134202922
4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol
CID 139962444
4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol
CID 121386312
4-(4-hydroxy-3-phenylphenyl)-2-methylphenol
CID 139534984
carbanide;2-phenylphenol;titanium(3+)
CID 59317555
4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol
CID 70422254
4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol
CID 139679162
4-[1-(4-hydroxy-3,5-diphenylphenyl)ethyl]-2,6-diphenylphenol
CID 139825093
2,6-diphenyl-4-propan-2-ylphenol
CID 155045328
2-ethenyl-4-[(3-ethenyl-4-hydroxyphenyl)-phenylmethyl]phenol
CID 139760597

Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-hydroxy-3-phenylphenyl)methyl]-2-phenylphenol?
The IUPAC name of 4-[bis(4-hydroxy-3-phenylphenyl)methyl]-2-phenylphenol (CID 140882520) is 4-[bis(4-hydroxy-3-phenylphenyl)methyl]-2-phenylphenol.
What is the SMILES notation for 4-[bis(4-hydroxy-3-phenylphenyl)methyl]-2-phenylphenol?
The canonical SMILES for 4-[bis(4-hydroxy-3-phenylphenyl)methyl]-2-phenylphenol is Oc1ccc(C(c2ccc(O)c(-c3ccccc3)c2)c2ccc(O)c(-c3ccccc3)c2)cc1-c1ccccc1.
What is the InChIKey of 4-[bis(4-hydroxy-3-phenylphenyl)methyl]-2-phenylphenol?
The InChIKey is RDSSKSSOKNSDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28O3/c38-34-19-16-28(22-31(34)25-10-4-1-5-11-25)37(29-17-20-35(39)32(23-29)26-12-6-2-7-13-26)30-18-21-36(40)33(24-30)27-14-8-3-9-15-27/h1-24,37-40H.
What are the key properties of 4-[bis(4-hydroxy-3-phenylphenyl)methyl]-2-phenylphenol?
4-[bis(4-hydroxy-3-phenylphenyl)methyl]-2-phenylphenol has a molecular weight of 520.63 g/mol, XLogP of 8.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-hydroxy-3-phenylphenyl)methyl]-2-phenylphenol is sourced from PubChem (CID 140882520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).