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

C28H26O3 — CID 70170016

IUPAC2,3-bis[(4-hydroxy-3-methylphenyl)methyl]-4-phenylphenol
SMILESCc1cc(Cc2c(O)ccc(-c3ccccc3)c2Cc2ccc(O)c(C)c2)ccc1O
InChIInChI=1S/C28H26O3/c1-18-14-20(8-11-26(18)29)16-24-23(22-6-4-3-5-7-22)10-13-28(31)25(24)17-21-9-12-27(30)19(2)15-21/h3-15,29-31H,16-17H2,1-2H3
InChIKeyZUWNNNVOFMYDCP-UHFFFAOYSA-N
MW410.51 g/mol
LogP6.27
Rot. Bonds5

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

2,3-bis[(4-hydroxy-3-methylphenyl)methyl]-4-phenylphenol (PubChem CID 70170016) has the molecular formula C28H26O3 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2,3-bis[(4-hydroxy-3-methylphenyl)methyl]-4-phenylphenol.

Molecular Properties

Compound Name2,3-bis[(4-hydroxy-3-methylphenyl)methyl]-4-phenylphenol
PubChem CID70170016
Molecular FormulaC28H26O3
Molecular Weight410.51 g/mol
Exact Mass410.19
IUPAC Name2,3-bis[(4-hydroxy-3-methylphenyl)methyl]-4-phenylphenol
SMILESCc1cc(Cc2c(O)ccc(-c3ccccc3)c2Cc2ccc(O)c(C)c2)ccc1O
InChIInChI=1S/C28H26O3/c1-18-14-20(8-11-26(18)29)16-24-23(22-6-4-3-5-7-22)10-13-28(31)25(24)17-21-9-12-27(30)19(2)15-21/h3-15,29-31H,16-17H2,1-2H3
InChIKeyZUWNNNVOFMYDCP-UHFFFAOYSA-N
XLogP6.27
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 56.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(4-hydroxy-3-methylphenyl)methyl]-4-phenylphenol?
The IUPAC name of 2,3-bis[(4-hydroxy-3-methylphenyl)methyl]-4-phenylphenol (CID 70170016) is 2,3-bis[(4-hydroxy-3-methylphenyl)methyl]-4-phenylphenol.
What is the SMILES notation for 2,3-bis[(4-hydroxy-3-methylphenyl)methyl]-4-phenylphenol?
The canonical SMILES for 2,3-bis[(4-hydroxy-3-methylphenyl)methyl]-4-phenylphenol is Cc1cc(Cc2c(O)ccc(-c3ccccc3)c2Cc2ccc(O)c(C)c2)ccc1O.
What is the InChIKey of 2,3-bis[(4-hydroxy-3-methylphenyl)methyl]-4-phenylphenol?
The InChIKey is ZUWNNNVOFMYDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O3/c1-18-14-20(8-11-26(18)29)16-24-23(22-6-4-3-5-7-22)10-13-28(31)25(24)17-21-9-12-27(30)19(2)15-21/h3-15,29-31H,16-17H2,1-2H3.
What are the key properties of 2,3-bis[(4-hydroxy-3-methylphenyl)methyl]-4-phenylphenol?
2,3-bis[(4-hydroxy-3-methylphenyl)methyl]-4-phenylphenol has a molecular weight of 410.51 g/mol, XLogP of 6.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(4-hydroxy-3-methylphenyl)methyl]-4-phenylphenol is sourced from PubChem (CID 70170016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).