2-[bis(4-methylphenyl)methyl]-5-methylphenol

C22H22O — CID 21115451

IUPAC2-[bis(4-methylphenyl)methyl]-5-methylphenol
SMILESCc1ccc(C(c2ccc(C)cc2)c2ccc(C)cc2O)cc1
InChIInChI=1S/C22H22O/c1-15-4-9-18(10-5-15)22(19-11-6-16(2)7-12-19)20-13-8-17(3)14-21(20)23/h4-14,22-23H,1-3H3
InChIKeyQAZRKMDJZPCKHA-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.50
Rot. Bonds3

About 2-[bis(4-methylphenyl)methyl]-5-methylphenol

2-[bis(4-methylphenyl)methyl]-5-methylphenol (PubChem CID 21115451) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[bis(4-methylphenyl)methyl]-5-methylphenol.

Molecular Properties

Compound Name2-[bis(4-methylphenyl)methyl]-5-methylphenol
PubChem CID21115451
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name2-[bis(4-methylphenyl)methyl]-5-methylphenol
SMILESCc1ccc(C(c2ccc(C)cc2)c2ccc(C)cc2O)cc1
InChIInChI=1S/C22H22O/c1-15-4-9-18(10-5-15)22(19-11-6-16(2)7-12-19)20-13-8-17(3)14-21(20)23/h4-14,22-23H,1-3H3
InChIKeyQAZRKMDJZPCKHA-UHFFFAOYSA-N
XLogP5.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(5-methyl-2-propan-2-ylphenol);dihydroiodide
CID 69164517
5-methyl-2-propan-2-ylphenol;zinc
CID 160855786
cobalt;bis(5-methyl-2-propan-2-ylphenol)
CID 156896903
zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)
CID 162244199
1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol
CID 68551781
2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene
CID 22389703
5-methyl-2-pentan-3-ylphenol
CID 67240040
2-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-5-methylphenol
CID 131423163
2-(1-amino-2-methylpropyl)-5-methylphenol
CID 55283226
4-methyl-2-[1-(4-methylphenyl)ethyl]phenol
CID 46930570
2-[(1S)-1,2-diaminoethyl]-5-methylphenol
CID 55278369
2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol
CID 55277705

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-methylphenyl)methyl]-5-methylphenol?
The IUPAC name of 2-[bis(4-methylphenyl)methyl]-5-methylphenol (CID 21115451) is 2-[bis(4-methylphenyl)methyl]-5-methylphenol.
What is the SMILES notation for 2-[bis(4-methylphenyl)methyl]-5-methylphenol?
The canonical SMILES for 2-[bis(4-methylphenyl)methyl]-5-methylphenol is Cc1ccc(C(c2ccc(C)cc2)c2ccc(C)cc2O)cc1.
What is the InChIKey of 2-[bis(4-methylphenyl)methyl]-5-methylphenol?
The InChIKey is QAZRKMDJZPCKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c1-15-4-9-18(10-5-15)22(19-11-6-16(2)7-12-19)20-13-8-17(3)14-21(20)23/h4-14,22-23H,1-3H3.
What are the key properties of 2-[bis(4-methylphenyl)methyl]-5-methylphenol?
2-[bis(4-methylphenyl)methyl]-5-methylphenol has a molecular weight of 302.42 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-methylphenyl)methyl]-5-methylphenol is sourced from PubChem (CID 21115451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).