1,2,3-trimethoxy-5-[(E)-2-phenylselanylethenyl]benzene

C17H18O3Se — CID 46201364

IUPAC1,2,3-trimethoxy-5-[(E)-2-phenylselanylethenyl]benzene
SMILESCOc1cc(/C=C/[Se]c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C17H18O3Se/c1-18-15-11-13(12-16(19-2)17(15)20-3)9-10-21-14-7-5-4-6-8-14/h4-12H,1-3H3/b10-9+
InChIKeyLRKVACQNVBYZER-MDZDMXLPSA-N
MW349.29 g/mol
LogP2.71
Rot. Bonds6

About 1,2,3-trimethoxy-5-[(E)-2-phenylselanylethenyl]benzene

1,2,3-trimethoxy-5-[(E)-2-phenylselanylethenyl]benzene (PubChem CID 46201364) has the molecular formula C17H18O3Se and a molecular weight of 349.29 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[(E)-2-phenylselanylethenyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[(E)-2-phenylselanylethenyl]benzene
PubChem CID46201364
Molecular FormulaC17H18O3Se
Molecular Weight349.29 g/mol
Exact Mass350.04
IUPAC Name1,2,3-trimethoxy-5-[(E)-2-phenylselanylethenyl]benzene
SMILESCOc1cc(/C=C/[Se]c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C17H18O3Se/c1-18-15-11-13(12-16(19-2)17(15)20-3)9-10-21-14-7-5-4-6-8-14/h4-12H,1-3H3/b10-9+
InChIKeyLRKVACQNVBYZER-MDZDMXLPSA-N
XLogP2.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
CID 59742495
1,2,3-trimethoxy-5-[(E)-2-(trifluoromethylselanyl)ethenyl]benzene
CID 122369230
5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene
CID 20785899
5-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460440
1,2,3-trimethoxy-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 6296346
(1E,4E,6E)-5-hydroxy-1,7-bis(3,4,5-trimethoxyphenyl)hepta-1,4,6-trien-3-one
CID 137360965
1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
CID 155816049
5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 59348795
3-(3,4,5-trimethoxyphenyl)-1-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 71835462
2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460433
3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
CID 5388745

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[(E)-2-phenylselanylethenyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[(E)-2-phenylselanylethenyl]benzene (CID 46201364) is 1,2,3-trimethoxy-5-[(E)-2-phenylselanylethenyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[(E)-2-phenylselanylethenyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[(E)-2-phenylselanylethenyl]benzene is COc1cc(/C=C/[Se]c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxy-5-[(E)-2-phenylselanylethenyl]benzene?
The InChIKey is LRKVACQNVBYZER-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H18O3Se/c1-18-15-11-13(12-16(19-2)17(15)20-3)9-10-21-14-7-5-4-6-8-14/h4-12H,1-3H3/b10-9+.
What are the key properties of 1,2,3-trimethoxy-5-[(E)-2-phenylselanylethenyl]benzene?
1,2,3-trimethoxy-5-[(E)-2-phenylselanylethenyl]benzene has a molecular weight of 349.29 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[(E)-2-phenylselanylethenyl]benzene is sourced from PubChem (CID 46201364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).