2-(4-tert-butylphenyl)-1-[4-[4-(methoxymethoxy)phenyl]phenyl]ethanone

C26H28O3 — CID 139904885

IUPAC2-(4-tert-butylphenyl)-1-[4-[4-(methoxymethoxy)phenyl]phenyl]ethanone
SMILESCOCOc1ccc(-c2ccc(C(=O)Cc3ccc(C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C26H28O3/c1-26(2,3)23-13-5-19(6-14-23)17-25(27)22-9-7-20(8-10-22)21-11-15-24(16-12-21)29-18-28-4/h5-16H,17-18H2,1-4H3
InChIKeyFRQUYGLQJHLJPP-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.06
Rot. Bonds7

About 2-(4-tert-butylphenyl)-1-[4-[4-(methoxymethoxy)phenyl]phenyl]ethanone

2-(4-tert-butylphenyl)-1-[4-[4-(methoxymethoxy)phenyl]phenyl]ethanone (PubChem CID 139904885) has the molecular formula C26H28O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-[4-[4-(methoxymethoxy)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-[4-[4-(methoxymethoxy)phenyl]phenyl]ethanone
PubChem CID139904885
Molecular FormulaC26H28O3
Molecular Weight388.51 g/mol
Exact Mass388.20
IUPAC Name2-(4-tert-butylphenyl)-1-[4-[4-(methoxymethoxy)phenyl]phenyl]ethanone
SMILESCOCOc1ccc(-c2ccc(C(=O)Cc3ccc(C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C26H28O3/c1-26(2,3)23-13-5-19(6-14-23)17-25(27)22-9-7-20(8-10-22)21-11-15-24(16-12-21)29-18-28-4/h5-16H,17-18H2,1-4H3
InChIKeyFRQUYGLQJHLJPP-UHFFFAOYSA-N
XLogP6.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-[4-[4-(methoxymethoxy)phenyl]phenyl]ethanone?
The IUPAC name of 2-(4-tert-butylphenyl)-1-[4-[4-(methoxymethoxy)phenyl]phenyl]ethanone (CID 139904885) is 2-(4-tert-butylphenyl)-1-[4-[4-(methoxymethoxy)phenyl]phenyl]ethanone.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-[4-[4-(methoxymethoxy)phenyl]phenyl]ethanone?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-[4-[4-(methoxymethoxy)phenyl]phenyl]ethanone is COCOc1ccc(-c2ccc(C(=O)Cc3ccc(C(C)(C)C)cc3)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-[4-[4-(methoxymethoxy)phenyl]phenyl]ethanone?
The InChIKey is FRQUYGLQJHLJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O3/c1-26(2,3)23-13-5-19(6-14-23)17-25(27)22-9-7-20(8-10-22)21-11-15-24(16-12-21)29-18-28-4/h5-16H,17-18H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-[4-[4-(methoxymethoxy)phenyl]phenyl]ethanone?
2-(4-tert-butylphenyl)-1-[4-[4-(methoxymethoxy)phenyl]phenyl]ethanone has a molecular weight of 388.51 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-[4-[4-(methoxymethoxy)phenyl]phenyl]ethanone is sourced from PubChem (CID 139904885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).