(2Z)-2-[(2-methylphenyl)methylidene]-1-benzoselenophen-3-one

C16H12OSe — CID 135051676

IUPAC(2Z)-2-[(2-methylphenyl)methylidene]-1-benzoselenophen-3-one
SMILESCc1ccccc1/C=C1\[Se]c2ccccc2C1=O
InChIInChI=1S/C16H12OSe/c1-11-6-2-3-7-12(11)10-15-16(17)13-8-4-5-9-14(13)18-15/h2-10H,1H3/b15-10-
InChIKeyNMQOGHWGLZOLNN-GDNBJRDFSA-N
MW299.23 g/mol
LogP2.56
Rot. Bonds1

About (2Z)-2-[(2-methylphenyl)methylidene]-1-benzoselenophen-3-one

(2Z)-2-[(2-methylphenyl)methylidene]-1-benzoselenophen-3-one (PubChem CID 135051676) has the molecular formula C16H12OSe and a molecular weight of 299.23 g/mol. Its IUPAC name is (2Z)-2-[(2-methylphenyl)methylidene]-1-benzoselenophen-3-one.

Molecular Properties

Compound Name(2Z)-2-[(2-methylphenyl)methylidene]-1-benzoselenophen-3-one
PubChem CID135051676
Molecular FormulaC16H12OSe
Molecular Weight299.23 g/mol
Exact Mass300.01
IUPAC Name(2Z)-2-[(2-methylphenyl)methylidene]-1-benzoselenophen-3-one
SMILESCc1ccccc1/C=C1\[Se]c2ccccc2C1=O
InChIInChI=1S/C16H12OSe/c1-11-6-2-3-7-12(11)10-15-16(17)13-8-4-5-9-14(13)18-15/h2-10H,1H3/b15-10-
InChIKeyNMQOGHWGLZOLNN-GDNBJRDFSA-N
XLogP2.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylaminomethylidene)-1-benzoselenophen-3-one
CID 74038472
1-ethyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one
CID 1283569
(3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-4-one
CID 2427470
(3Z,5Z)-3,5-bis[(2-methylphenyl)methylidene]thian-4-one
CID 15567512
(3Z,5Z)-1-methyl-3,5-bis[(2-methylphenyl)methylidene]piperidin-1-ium-4-one
CID 2427469
9,10-bis[(2-methylphenyl)methylidene]anthracene
CID 10738810
2-[(2-methylphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59769953
(4Z)-2-ethyl-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 108936008
2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione
CID 5394460
(5Z)-3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 45095770
3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 131856720
lithium;1-ethenyl-2-methylbenzene;hydride
CID 174441225

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-methylphenyl)methylidene]-1-benzoselenophen-3-one?
The IUPAC name of (2Z)-2-[(2-methylphenyl)methylidene]-1-benzoselenophen-3-one (CID 135051676) is (2Z)-2-[(2-methylphenyl)methylidene]-1-benzoselenophen-3-one.
What is the SMILES notation for (2Z)-2-[(2-methylphenyl)methylidene]-1-benzoselenophen-3-one?
The canonical SMILES for (2Z)-2-[(2-methylphenyl)methylidene]-1-benzoselenophen-3-one is Cc1ccccc1/C=C1\[Se]c2ccccc2C1=O.
What is the InChIKey of (2Z)-2-[(2-methylphenyl)methylidene]-1-benzoselenophen-3-one?
The InChIKey is NMQOGHWGLZOLNN-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H12OSe/c1-11-6-2-3-7-12(11)10-15-16(17)13-8-4-5-9-14(13)18-15/h2-10H,1H3/b15-10-.
What are the key properties of (2Z)-2-[(2-methylphenyl)methylidene]-1-benzoselenophen-3-one?
(2Z)-2-[(2-methylphenyl)methylidene]-1-benzoselenophen-3-one has a molecular weight of 299.23 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-methylphenyl)methylidene]-1-benzoselenophen-3-one is sourced from PubChem (CID 135051676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).