[2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone

C30H26O2 — CID 117071524

IUPAC[2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccccc1CCc1ccccc1C(=O)c1ccccc1C
InChIInChI=1S/C30H26O2/c1-21-11-3-7-15-25(21)29(31)27-17-9-5-13-23(27)19-20-24-14-6-10-18-28(24)30(32)26-16-8-4-12-22(26)2/h3-18H,19-20H2,1-2H3
InChIKeyHWPIZJFOQCWBHF-UHFFFAOYSA-N
MW418.54 g/mol
LogP6.55
Rot. Bonds7

About [2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone

[2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone (PubChem CID 117071524) has the molecular formula C30H26O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is [2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone
PubChem CID117071524
Molecular FormulaC30H26O2
Molecular Weight418.54 g/mol
Exact Mass418.19
IUPAC Name[2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccccc1CCc1ccccc1C(=O)c1ccccc1C
InChIInChI=1S/C30H26O2/c1-21-11-3-7-15-25(21)29(31)27-17-9-5-13-23(27)19-20-24-14-6-10-18-28(24)30(32)26-16-8-4-12-22(26)2/h3-18H,19-20H2,1-2H3
InChIKeyHWPIZJFOQCWBHF-UHFFFAOYSA-N
XLogP6.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
methyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate
CID 10545389
methyl 2-[2-(2-methylphenyl)ethyl]benzoate
CID 118040129
1,2-bis(2-methylphenyl)ethanone
CID 11345119
bis[2-(3-hydroxypropyl)phenyl]methanone
CID 54073117
(2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24725405
(2,4-dimethylphenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 116613156
1-aminopropan-2-one;(2-methylphenyl)-phenylmethanone
CID 143285715
(7-ethyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339331
2-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzoic acid
CID 104548755
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone?
The IUPAC name of [2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone (CID 117071524) is [2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone.
What is the SMILES notation for [2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone?
The canonical SMILES for [2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1ccccc1CCc1ccccc1C(=O)c1ccccc1C.
What is the InChIKey of [2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone?
The InChIKey is HWPIZJFOQCWBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O2/c1-21-11-3-7-15-25(21)29(31)27-17-9-5-13-23(27)19-20-24-14-6-10-18-28(24)30(32)26-16-8-4-12-22(26)2/h3-18H,19-20H2,1-2H3.
What are the key properties of [2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone?
[2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone has a molecular weight of 418.54 g/mol, XLogP of 6.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone is sourced from PubChem (CID 117071524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).