(1-ethylselanylnaphthalen-2-yl)-(2-methylphenyl)methanone

C20H18OSe — CID 138970146

IUPAC(1-ethylselanylnaphthalen-2-yl)-(2-methylphenyl)methanone
SMILESCC[Se]c1c(C(=O)c2ccccc2C)ccc2ccccc12
InChIInChI=1S/C20H18OSe/c1-3-22-20-17-11-7-5-9-15(17)12-13-18(20)19(21)16-10-6-4-8-14(16)2/h4-13H,3H2,1-2H3
InChIKeySRFUXQBPANIOOA-UHFFFAOYSA-N
MW353.32 g/mol
LogP4.15
Rot. Bonds4

About (1-ethylselanylnaphthalen-2-yl)-(2-methylphenyl)methanone

(1-ethylselanylnaphthalen-2-yl)-(2-methylphenyl)methanone (PubChem CID 138970146) has the molecular formula C20H18OSe and a molecular weight of 353.32 g/mol. Its IUPAC name is (1-ethylselanylnaphthalen-2-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(1-ethylselanylnaphthalen-2-yl)-(2-methylphenyl)methanone
PubChem CID138970146
Molecular FormulaC20H18OSe
Molecular Weight353.32 g/mol
Exact Mass354.05
IUPAC Name(1-ethylselanylnaphthalen-2-yl)-(2-methylphenyl)methanone
SMILESCC[Se]c1c(C(=O)c2ccccc2C)ccc2ccccc12
InChIInChI=1S/C20H18OSe/c1-3-22-20-17-11-7-5-9-15(17)12-13-18(20)19(21)16-10-6-4-8-14(16)2/h4-13H,3H2,1-2H3
InChIKeySRFUXQBPANIOOA-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 54.15
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

[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
[2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone
CID 117071524
(2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone
CID 21432102
1-methyl-2-[(E)-3-(2-methylphenyl)but-2-en-2-yl]naphthalene
CID 144609212
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274
(7-ethyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339331
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
carbonic acid;1-methylnaphthalene
CID 66808059
(2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107981732
(2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430773
(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 112614517
(2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one
CID 175125540

Frequently Asked Questions

What is the IUPAC name of (1-ethylselanylnaphthalen-2-yl)-(2-methylphenyl)methanone?
The IUPAC name of (1-ethylselanylnaphthalen-2-yl)-(2-methylphenyl)methanone (CID 138970146) is (1-ethylselanylnaphthalen-2-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (1-ethylselanylnaphthalen-2-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (1-ethylselanylnaphthalen-2-yl)-(2-methylphenyl)methanone is CC[Se]c1c(C(=O)c2ccccc2C)ccc2ccccc12.
What is the InChIKey of (1-ethylselanylnaphthalen-2-yl)-(2-methylphenyl)methanone?
The InChIKey is SRFUXQBPANIOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18OSe/c1-3-22-20-17-11-7-5-9-15(17)12-13-18(20)19(21)16-10-6-4-8-14(16)2/h4-13H,3H2,1-2H3.
What are the key properties of (1-ethylselanylnaphthalen-2-yl)-(2-methylphenyl)methanone?
(1-ethylselanylnaphthalen-2-yl)-(2-methylphenyl)methanone has a molecular weight of 353.32 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylselanylnaphthalen-2-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 138970146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).