(3-methyl-1-benzoselenophen-2-yl)-phenylmethanone

C16H12OSe — CID 134938353

IUPAC(3-methyl-1-benzoselenophen-2-yl)-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)[se]c2ccccc12
InChIInChI=1S/C16H12OSe/c1-11-13-9-5-6-10-14(13)18-16(11)15(17)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyIMNYNUKAODITOI-UHFFFAOYSA-N
MW299.23 g/mol
LogP3.44
Rot. Bonds2

About (3-methyl-1-benzoselenophen-2-yl)-phenylmethanone

(3-methyl-1-benzoselenophen-2-yl)-phenylmethanone (PubChem CID 134938353) has the molecular formula C16H12OSe and a molecular weight of 299.23 g/mol. Its IUPAC name is (3-methyl-1-benzoselenophen-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-methyl-1-benzoselenophen-2-yl)-phenylmethanone
PubChem CID134938353
Molecular FormulaC16H12OSe
Molecular Weight299.23 g/mol
Exact Mass300.01
IUPAC Name(3-methyl-1-benzoselenophen-2-yl)-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)[se]c2ccccc12
InChIInChI=1S/C16H12OSe/c1-11-13-9-5-6-10-14(13)18-16(11)15(17)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyIMNYNUKAODITOI-UHFFFAOYSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
(4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone
CID 86183747
diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid
CID 70582995
(8-benzoyl-2,7-dimethylnaphthalen-1-yl)-phenylmethanone
CID 5259949
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;ethane;toluene
CID 157406780
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
(4-methyl-3,5-dinitrophenyl)-phenylmethanone
CID 15084102

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzoselenophen-2-yl)-phenylmethanone?
The IUPAC name of (3-methyl-1-benzoselenophen-2-yl)-phenylmethanone (CID 134938353) is (3-methyl-1-benzoselenophen-2-yl)-phenylmethanone.
What is the SMILES notation for (3-methyl-1-benzoselenophen-2-yl)-phenylmethanone?
The canonical SMILES for (3-methyl-1-benzoselenophen-2-yl)-phenylmethanone is Cc1c(C(=O)c2ccccc2)[se]c2ccccc12.
What is the InChIKey of (3-methyl-1-benzoselenophen-2-yl)-phenylmethanone?
The InChIKey is IMNYNUKAODITOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12OSe/c1-11-13-9-5-6-10-14(13)18-16(11)15(17)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of (3-methyl-1-benzoselenophen-2-yl)-phenylmethanone?
(3-methyl-1-benzoselenophen-2-yl)-phenylmethanone has a molecular weight of 299.23 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzoselenophen-2-yl)-phenylmethanone is sourced from PubChem (CID 134938353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).