(1-phenyl-2-prop-2-enoxyethyl)selanylbenzene

C17H18OSe — CID 10710562

IUPAC(1-phenyl-2-prop-2-enoxyethyl)selanylbenzene
SMILESC=CCOCC([Se]c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18OSe/c1-2-13-18-14-17(15-9-5-3-6-10-15)19-16-11-7-4-8-12-16/h2-12,17H,1,13-14H2
InChIKeyNTHVHDSROMQJRJ-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.96
Rot. Bonds7

About (1-phenyl-2-prop-2-enoxyethyl)selanylbenzene

(1-phenyl-2-prop-2-enoxyethyl)selanylbenzene (PubChem CID 10710562) has the molecular formula C17H18OSe and a molecular weight of 317.29 g/mol. Its IUPAC name is (1-phenyl-2-prop-2-enoxyethyl)selanylbenzene.

Molecular Properties

Compound Name(1-phenyl-2-prop-2-enoxyethyl)selanylbenzene
PubChem CID10710562
Molecular FormulaC17H18OSe
Molecular Weight317.29 g/mol
Exact Mass318.05
IUPAC Name(1-phenyl-2-prop-2-enoxyethyl)selanylbenzene
SMILESC=CCOCC([Se]c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18OSe/c1-2-13-18-14-17(15-9-5-3-6-10-15)19-16-11-7-4-8-12-16/h2-12,17H,1,13-14H2
InChIKeyNTHVHDSROMQJRJ-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-chloro-3-prop-2-enoxypropyl)benzene
CID 14388087
2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene
CID 174460969
disodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene
CID 173405020
(2S)-2-phenylselanylpent-4-en-1-ol
CID 23635680
(R)-phenyl(prop-2-enoxy)methanol
CID 97012117
2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate
CID 175934339
1-prop-2-enoxy-3-trityloxypropan-2-ol
CID 3540668
but-2-ynyl-methyl-(1-phenyl-2-prop-2-enoxyethyl)-prop-2-enylazanium
CID 24990268
(2S)-1-(benzylamino)-3-prop-2-enoxypropan-2-ol
CID 34178559
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
[(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene
CID 141305061
CID 174846151
CID 174846151

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-2-prop-2-enoxyethyl)selanylbenzene?
The IUPAC name of (1-phenyl-2-prop-2-enoxyethyl)selanylbenzene (CID 10710562) is (1-phenyl-2-prop-2-enoxyethyl)selanylbenzene.
What is the SMILES notation for (1-phenyl-2-prop-2-enoxyethyl)selanylbenzene?
The canonical SMILES for (1-phenyl-2-prop-2-enoxyethyl)selanylbenzene is C=CCOCC([Se]c1ccccc1)c1ccccc1.
What is the InChIKey of (1-phenyl-2-prop-2-enoxyethyl)selanylbenzene?
The InChIKey is NTHVHDSROMQJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OSe/c1-2-13-18-14-17(15-9-5-3-6-10-15)19-16-11-7-4-8-12-16/h2-12,17H,1,13-14H2.
What are the key properties of (1-phenyl-2-prop-2-enoxyethyl)selanylbenzene?
(1-phenyl-2-prop-2-enoxyethyl)selanylbenzene has a molecular weight of 317.29 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-2-prop-2-enoxyethyl)selanylbenzene is sourced from PubChem (CID 10710562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).