1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene

C24H26O — CID 102293623

IUPAC1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
SMILESCOc1ccc(C(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H26O/c1-24(2,3)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(25-4)17-13-20/h5-17,23H,1-4H3
InChIKeyQVOXLICHQQEWRA-UHFFFAOYSA-N
MW330.47 g/mol
LogP6.17
Rot. Bonds4

About 1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene

1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene (PubChem CID 102293623) has the molecular formula C24H26O and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
PubChem CID102293623
Molecular FormulaC24H26O
Molecular Weight330.47 g/mol
Exact Mass330.20
IUPAC Name1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
SMILESCOc1ccc(C(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H26O/c1-24(2,3)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(25-4)17-13-20/h5-17,23H,1-4H3
InChIKeyQVOXLICHQQEWRA-UHFFFAOYSA-N
XLogP6.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
1-fluoro-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 132919259
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312
[4-[(4-methoxyphenyl)-diphenylmethyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate;[4-[(4-methoxyphenyl)-phenylmethyl]phenyl] acetate
CID 161219499
1-methoxy-2-[[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]-diphenylmethyl]benzene
CID 123600060
1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene
CID 137362247
1-tert-butyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]benzene
CID 168720165
[4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane
CID 132574561
[(4-tert-butylphenyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105190992
(2S)-2-(4-methoxyphenyl)-2-methyl-3,3-diphenylpropanal
CID 135005803
3-benzoyl-1-(4-tert-butylphenyl)-2-(4-methoxybenzoyl)-4-(4-propan-2-ylphenyl)butane-1,4-dione
CID 67265752
2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 18373848

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene?
The IUPAC name of 1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene (CID 102293623) is 1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene?
The canonical SMILES for 1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene is COc1ccc(C(c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene?
The InChIKey is QVOXLICHQQEWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O/c1-24(2,3)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(25-4)17-13-20/h5-17,23H,1-4H3.
What are the key properties of 1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene?
1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene has a molecular weight of 330.47 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene is sourced from PubChem (CID 102293623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).