(Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid

C16H14O3Se — CID 12615337

IUPAC(Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid
SMILESCOc1ccc(/C(=C/C(=O)O)[Se]c2ccccc2)cc1
InChIInChI=1S/C16H14O3Se/c1-19-13-9-7-12(8-10-13)15(11-16(17)18)20-14-5-3-2-4-6-14/h2-11H,1H3,(H,17,18)/b15-11-
InChIKeyLWYYURRPAFQKSF-PTNGSMBKSA-N
MW333.25 g/mol
LogP2.15
Rot. Bonds5

About (Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid

(Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid (PubChem CID 12615337) has the molecular formula C16H14O3Se and a molecular weight of 333.25 g/mol. Its IUPAC name is (Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid
PubChem CID12615337
Molecular FormulaC16H14O3Se
Molecular Weight333.25 g/mol
Exact Mass334.01
IUPAC Name(Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid
SMILESCOc1ccc(/C(=C/C(=O)O)[Se]c2ccccc2)cc1
InChIInChI=1S/C16H14O3Se/c1-19-13-9-7-12(8-10-13)15(11-16(17)18)20-14-5-3-2-4-6-14/h2-11H,1H3,(H,17,18)/b15-11-
InChIKeyLWYYURRPAFQKSF-PTNGSMBKSA-N
XLogP2.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one
CID 15851628
(E)-4-phenyl-4-phenylselanylbut-3-en-2-one
CID 53355316
1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene
CID 71551226
(Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile
CID 10519304
1-[(E)-1-chloro-1-phenylselanylprop-1-en-2-yl]-4-methoxybenzene
CID 134920953
(Z)-3-(4-methoxyphenyl)pent-2-enedioic acid
CID 70572343
(Z)-3-bromo-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid
CID 5284375
(E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one
CID 135075979
(Z)-3-(3,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 19421507
anisole;methyl 4-methoxybenzoate
CID 158093995
2-benzhydrylimino-1-(4-methoxyphenyl)ethanone
CID 139818833
(Z)-4,4,4-trifluoro-1-(4-methoxyphenyl)-3-phenylbut-2-en-1-one
CID 102451178

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid?
The IUPAC name of (Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid (CID 12615337) is (Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid?
The canonical SMILES for (Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid is COc1ccc(/C(=C/C(=O)O)[Se]c2ccccc2)cc1.
What is the InChIKey of (Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid?
The InChIKey is LWYYURRPAFQKSF-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H14O3Se/c1-19-13-9-7-12(8-10-13)15(11-16(17)18)20-14-5-3-2-4-6-14/h2-11H,1H3,(H,17,18)/b15-11-.
What are the key properties of (Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid?
(Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid has a molecular weight of 333.25 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid is sourced from PubChem (CID 12615337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).