4-[2-(2,4-dibenzylphenyl)propan-2-yl]phenol

C29H28O — CID 142758885

IUPAC4-[2-(2,4-dibenzylphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(Cc2ccccc2)cc1Cc1ccccc1
InChIInChI=1S/C29H28O/c1-29(2,26-14-16-27(30)17-15-26)28-18-13-24(19-22-9-5-3-6-10-22)21-25(28)20-23-11-7-4-8-12-23/h3-18,21,30H,19-20H2,1-2H3
InChIKeyOFKQGMQNWJBDTN-UHFFFAOYSA-N
MW392.54 g/mol
LogP6.90
Rot. Bonds6

About 4-[2-(2,4-dibenzylphenyl)propan-2-yl]phenol

4-[2-(2,4-dibenzylphenyl)propan-2-yl]phenol (PubChem CID 142758885) has the molecular formula C29H28O and a molecular weight of 392.54 g/mol. Its IUPAC name is 4-[2-(2,4-dibenzylphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-(2,4-dibenzylphenyl)propan-2-yl]phenol
PubChem CID142758885
Molecular FormulaC29H28O
Molecular Weight392.54 g/mol
Exact Mass392.21
IUPAC Name4-[2-(2,4-dibenzylphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(Cc2ccccc2)cc1Cc1ccccc1
InChIInChI=1S/C29H28O/c1-29(2,26-14-16-27(30)17-15-26)28-18-13-24(19-22-9-5-3-6-10-22)21-25(28)20-23-11-7-4-8-12-23/h3-18,21,30H,19-20H2,1-2H3
InChIKeyOFKQGMQNWJBDTN-UHFFFAOYSA-N
XLogP6.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 131886054
CID 131886054
bis(benzene-1,4-diol);benzylbenzene
CID 159915102
2-benzyl-4,5-ditert-butylphenol
CID 21430785
4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol
CID 160835894
copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790
4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane
CID 143086936
3-[5-hydroxy-2-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propane-1,2-diol
CID 19007893
4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol
CID 67400035
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol
CID 67724920
formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol
CID 67560880
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
4-[2-[4-[1-[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-1-[3-[(4-hydroxyphenyl)methyl]-5-[(4-methylphenyl)methyl]phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis[(4-hydroxyphenyl)methyl]phenol
CID 143901395

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dibenzylphenyl)propan-2-yl]phenol?
The IUPAC name of 4-[2-(2,4-dibenzylphenyl)propan-2-yl]phenol (CID 142758885) is 4-[2-(2,4-dibenzylphenyl)propan-2-yl]phenol.
What is the SMILES notation for 4-[2-(2,4-dibenzylphenyl)propan-2-yl]phenol?
The canonical SMILES for 4-[2-(2,4-dibenzylphenyl)propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(Cc2ccccc2)cc1Cc1ccccc1.
What is the InChIKey of 4-[2-(2,4-dibenzylphenyl)propan-2-yl]phenol?
The InChIKey is OFKQGMQNWJBDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O/c1-29(2,26-14-16-27(30)17-15-26)28-18-13-24(19-22-9-5-3-6-10-22)21-25(28)20-23-11-7-4-8-12-23/h3-18,21,30H,19-20H2,1-2H3.
What are the key properties of 4-[2-(2,4-dibenzylphenyl)propan-2-yl]phenol?
4-[2-(2,4-dibenzylphenyl)propan-2-yl]phenol has a molecular weight of 392.54 g/mol, XLogP of 6.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dibenzylphenyl)propan-2-yl]phenol is sourced from PubChem (CID 142758885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).