1-[(E)-1-chloro-1-phenylselanylprop-1-en-2-yl]-4-methoxybenzene

C16H15ClOSe — CID 134920953

IUPAC1-[(E)-1-chloro-1-phenylselanylprop-1-en-2-yl]-4-methoxybenzene
SMILESCOc1ccc(/C(C)=C(\Cl)[Se]c2ccccc2)cc1
InChIInChI=1S/C16H15ClOSe/c1-12(13-8-10-14(18-2)11-9-13)16(17)19-15-6-4-3-5-7-15/h3-11H,1-2H3/b16-12+
InChIKeyXXRKWYHUOMHBJO-FOWTUZBSSA-N
MW337.71 g/mol
LogP3.65
Rot. Bonds4

About 1-[(E)-1-chloro-1-phenylselanylprop-1-en-2-yl]-4-methoxybenzene

1-[(E)-1-chloro-1-phenylselanylprop-1-en-2-yl]-4-methoxybenzene (PubChem CID 134920953) has the molecular formula C16H15ClOSe and a molecular weight of 337.71 g/mol. Its IUPAC name is 1-[(E)-1-chloro-1-phenylselanylprop-1-en-2-yl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-1-chloro-1-phenylselanylprop-1-en-2-yl]-4-methoxybenzene
PubChem CID134920953
Molecular FormulaC16H15ClOSe
Molecular Weight337.71 g/mol
Exact Mass338.00
IUPAC Name1-[(E)-1-chloro-1-phenylselanylprop-1-en-2-yl]-4-methoxybenzene
SMILESCOc1ccc(/C(C)=C(\Cl)[Se]c2ccccc2)cc1
InChIInChI=1S/C16H15ClOSe/c1-12(13-8-10-14(18-2)11-9-13)16(17)19-15-6-4-3-5-7-15/h3-11H,1-2H3/b16-12+
InChIKeyXXRKWYHUOMHBJO-FOWTUZBSSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.71
LogP ≤ 53.65
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

1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene
CID 15417407
1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene
CID 71551226
(Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid
CID 12615337
(Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one
CID 15851628
(E)-2-chloro-3-(4-methoxyphenyl)but-2-enenitrile
CID 6425282
4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol
CID 71251039
CID 12714057
CID 12714057
2-(4-methoxybenzoyl)benzoyl chloride
CID 13352630
1-(4-methoxyphenyl)-4-phenyl-4-phenylselanyl-2-(2-phenylselanylethyl)buta-2,3-dien-1-one
CID 57408707
3-(4-methoxyphenyl)-2-sulfanylbut-2-enoic acid
CID 73474272
(Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile
CID 10519304
3-chloro-2-(4-methoxyphenyl)-3-phenylprop-2-enenitrile
CID 54029927

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-chloro-1-phenylselanylprop-1-en-2-yl]-4-methoxybenzene?
The IUPAC name of 1-[(E)-1-chloro-1-phenylselanylprop-1-en-2-yl]-4-methoxybenzene (CID 134920953) is 1-[(E)-1-chloro-1-phenylselanylprop-1-en-2-yl]-4-methoxybenzene.
What is the SMILES notation for 1-[(E)-1-chloro-1-phenylselanylprop-1-en-2-yl]-4-methoxybenzene?
The canonical SMILES for 1-[(E)-1-chloro-1-phenylselanylprop-1-en-2-yl]-4-methoxybenzene is COc1ccc(/C(C)=C(\Cl)[Se]c2ccccc2)cc1.
What is the InChIKey of 1-[(E)-1-chloro-1-phenylselanylprop-1-en-2-yl]-4-methoxybenzene?
The InChIKey is XXRKWYHUOMHBJO-FOWTUZBSSA-N. The full InChI is InChI=1S/C16H15ClOSe/c1-12(13-8-10-14(18-2)11-9-13)16(17)19-15-6-4-3-5-7-15/h3-11H,1-2H3/b16-12+.
What are the key properties of 1-[(E)-1-chloro-1-phenylselanylprop-1-en-2-yl]-4-methoxybenzene?
1-[(E)-1-chloro-1-phenylselanylprop-1-en-2-yl]-4-methoxybenzene has a molecular weight of 337.71 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-chloro-1-phenylselanylprop-1-en-2-yl]-4-methoxybenzene is sourced from PubChem (CID 134920953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).