1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone

C20H22O2Se — CID 135086680

IUPAC1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone
SMILESCc1ccc(C(=O)C[Se]CC(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C20H22O2Se/c1-13-5-7-17(9-15(13)3)19(21)11-23-12-20(22)18-8-6-14(2)16(4)10-18/h5-10H,11-12H2,1-4H3
InChIKeySPDDJDWKTXCXCE-UHFFFAOYSA-N
MW373.35 g/mol
LogP4.53
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone

1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone (PubChem CID 135086680) has the molecular formula C20H22O2Se and a molecular weight of 373.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone
PubChem CID135086680
Molecular FormulaC20H22O2Se
Molecular Weight373.35 g/mol
Exact Mass374.08
IUPAC Name1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone
SMILESCc1ccc(C(=O)C[Se]CC(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C20H22O2Se/c1-13-5-7-17(9-15(13)3)19(21)11-23-12-20(22)18-8-6-14(2)16(4)10-18/h5-10H,11-12H2,1-4H3
InChIKeySPDDJDWKTXCXCE-UHFFFAOYSA-N
XLogP4.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)-2-sulfanylethanone
CID 82125292
1-(3,4-dimethylphenyl)but-3-yn-1-one
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CID 82101251
4-amino-1-(3,4-dimethylphenyl)butan-1-one
CID 55267484
1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone
CID 82101255
1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone
CID 43800582
1-(3,4-dimethylphenyl)undecan-1-one
CID 114968936
1-(3,4-dimethylphenyl)tetradecan-1-one
CID 146006499
3-amino-1-(3,4-dimethylphenyl)-5,5-dimethylhexan-1-one
CID 116614648
1-(3,4-dimethylphenyl)-3-ethoxypropan-1-one
CID 105093547
7-amino-1-(3,4-dimethylphenyl)heptan-1-one
CID 116551492
1-(3,4-dimethylphenyl)-2-ethyl-2-hydroxybutan-1-one
CID 103446937

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone (CID 135086680) is 1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone is Cc1ccc(C(=O)C[Se]CC(=O)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone?
The InChIKey is SPDDJDWKTXCXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2Se/c1-13-5-7-17(9-15(13)3)19(21)11-23-12-20(22)18-8-6-14(2)16(4)10-18/h5-10H,11-12H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone?
1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone has a molecular weight of 373.35 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone is sourced from PubChem (CID 135086680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).