2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone

C30H26O2 — CID 10740738

IUPAC2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone
SMILESO=C(Cc1cccc(CCc2cccc(CC(=O)c3ccccc3)c2)c1)c1ccccc1
InChIInChI=1S/C30H26O2/c31-29(27-13-3-1-4-14-27)21-25-11-7-9-23(19-25)17-18-24-10-8-12-26(20-24)22-30(32)28-15-5-2-6-16-28/h1-16,19-20H,17-18,21-22H2
InChIKeyBSLQQFVCXBVXSO-UHFFFAOYSA-N
MW418.54 g/mol
LogP6.32
Rot. Bonds9

About 2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone

2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone (PubChem CID 10740738) has the molecular formula C30H26O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone
PubChem CID10740738
Molecular FormulaC30H26O2
Molecular Weight418.54 g/mol
Exact Mass418.19
IUPAC Name2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone
SMILESO=C(Cc1cccc(CCc2cccc(CC(=O)c3ccccc3)c2)c1)c1ccccc1
InChIInChI=1S/C30H26O2/c31-29(27-13-3-1-4-14-27)21-25-11-7-9-23(19-25)17-18-24-10-8-12-26(20-24)22-30(32)28-15-5-2-6-16-28/h1-16,19-20H,17-18,21-22H2
InChIKeyBSLQQFVCXBVXSO-UHFFFAOYSA-N
XLogP6.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-(3-propylphenyl)ethanone
CID 152762612
1,2-diphenylethanone;diphenylmethanone
CID 141067729
3-(3-methylphenyl)-1-phenylpropan-1-one
CID 24725661
1-(3-iodophenyl)-2-phenylethanone
CID 24723883
2-(3-azidophenyl)-1-phenylethanone;methane
CID 167655289
1-[4-(2-iodoethyl)phenyl]-2-phenylethanone
CID 20645066
3-[2-[3-(2,2-dihydroxyethyl)phenyl]ethyl]benzoic acid
CID 18682979
2-[2-(3-carboxyphenyl)ethyl]benzoic acid
CID 22404884
4-phenacylbenzoyl iodide
CID 142013538
1-(4-iodophenyl)-2-phenylethanone
CID 24723884
2-(3-chloro-4-fluorophenyl)-1-phenylethanone
CID 67471302
2-phenyl-1-(3-propan-2-ylphenyl)ethanone
CID 146007200

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone?
The IUPAC name of 2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone (CID 10740738) is 2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone.
What is the SMILES notation for 2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone?
The canonical SMILES for 2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone is O=C(Cc1cccc(CCc2cccc(CC(=O)c3ccccc3)c2)c1)c1ccccc1.
What is the InChIKey of 2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone?
The InChIKey is BSLQQFVCXBVXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O2/c31-29(27-13-3-1-4-14-27)21-25-11-7-9-23(19-25)17-18-24-10-8-12-26(20-24)22-30(32)28-15-5-2-6-16-28/h1-16,19-20H,17-18,21-22H2.
What are the key properties of 2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone?
2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone has a molecular weight of 418.54 g/mol, XLogP of 6.32, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone is sourced from PubChem (CID 10740738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).