4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol

C37H28O2 — CID 121386312

IUPAC4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol
SMILESOc1ccc(Cc2ccc(O)c(-c3ccc(-c4ccccc4)cc3)c2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C37H28O2/c38-36-21-11-26(24-34(36)32-17-13-30(14-18-32)28-7-3-1-4-8-28)23-27-12-22-37(39)35(25-27)33-19-15-31(16-20-33)29-9-5-2-6-10-29/h1-22,24-25,38-39H,23H2
InChIKeyYVYFFSIITXGVQC-UHFFFAOYSA-N
MW504.63 g/mol
LogP9.36
Rot. Bonds6

About 4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol

4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol (PubChem CID 121386312) has the molecular formula C37H28O2 and a molecular weight of 504.63 g/mol. Its IUPAC name is 4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol.

Molecular Properties

Compound Name4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol
PubChem CID121386312
Molecular FormulaC37H28O2
Molecular Weight504.63 g/mol
Exact Mass504.21
IUPAC Name4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol
SMILESOc1ccc(Cc2ccc(O)c(-c3ccc(-c4ccccc4)cc3)c2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C37H28O2/c38-36-21-11-26(24-34(36)32-17-13-30(14-18-32)28-7-3-1-4-8-28)23-27-12-22-37(39)35(25-27)33-19-15-31(16-20-33)29-9-5-2-6-10-29/h1-22,24-25,38-39H,23H2
InChIKeyYVYFFSIITXGVQC-UHFFFAOYSA-N
XLogP9.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 59.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-hydroxy-3-(4-methylphenyl)phenyl]methyl]-2-(4-methylphenyl)phenol
CID 22492712
4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol
CID 139679162
4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol
CID 70422254
4-(3-bromopropyl)-2-phenylphenol
CID 174496150
4-pentyl-2-phenylphenol
CID 154147556
[4-[(4-phenylphenyl)methyl]phenyl]methanol
CID 141147437
4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline
CID 146637396
4-benzyl-2-pyridin-2-ylphenol
CID 141478929
4-(4-hydroxy-3-phenylphenyl)-2-methylphenol
CID 139534984
4-(3-benzylphenyl)phenol
CID 101277658
4-benzyl-2-phenylbenzenethiol
CID 139607533
2,4-dibenzyl-6-(4-benzylphenyl)phenol
CID 170848286

Frequently Asked Questions

What is the IUPAC name of 4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol?
The IUPAC name of 4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol (CID 121386312) is 4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol.
What is the SMILES notation for 4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol?
The canonical SMILES for 4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol is Oc1ccc(Cc2ccc(O)c(-c3ccc(-c4ccccc4)cc3)c2)cc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol?
The InChIKey is YVYFFSIITXGVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28O2/c38-36-21-11-26(24-34(36)32-17-13-30(14-18-32)28-7-3-1-4-8-28)23-27-12-22-37(39)35(25-27)33-19-15-31(16-20-33)29-9-5-2-6-10-29/h1-22,24-25,38-39H,23H2.
What are the key properties of 4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol?
4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol has a molecular weight of 504.63 g/mol, XLogP of 9.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol is sourced from PubChem (CID 121386312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).