O-(4-methoxyphenyl) benzylselanylmethaneselenoate

C15H14O2Se2 — CID 102600172

IUPACO-(4-methoxyphenyl) benzylselanylmethaneselenoate
SMILESCOc1ccc(OC(=[Se])[Se]Cc2ccccc2)cc1
InChIInChI=1S/C15H14O2Se2/c1-16-13-7-9-14(10-8-13)17-15(18)19-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyNLEXPIRMOGVEBF-UHFFFAOYSA-N
MW384.20 g/mol
LogP2.23
Rot. Bonds6

About O-(4-methoxyphenyl) benzylselanylmethaneselenoate

O-(4-methoxyphenyl) benzylselanylmethaneselenoate (PubChem CID 102600172) has the molecular formula C15H14O2Se2 and a molecular weight of 384.20 g/mol. Its IUPAC name is O-(4-methoxyphenyl) benzylselanylmethaneselenoate.

Molecular Properties

Compound NameO-(4-methoxyphenyl) benzylselanylmethaneselenoate
PubChem CID102600172
Molecular FormulaC15H14O2Se2
Molecular Weight384.20 g/mol
Exact Mass385.93
IUPAC NameO-(4-methoxyphenyl) benzylselanylmethaneselenoate
SMILESCOc1ccc(OC(=[Se])[Se]Cc2ccccc2)cc1
InChIInChI=1S/C15H14O2Se2/c1-16-13-7-9-14(10-8-13)17-15(18)19-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyNLEXPIRMOGVEBF-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.20
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol
CID 135063762
(2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 95560671
1-(benzyl-hydroperoxy-hydroxy-λ4-selanyl)-4-methoxybenzene
CID 139265758
(4-methoxyphenyl)methyl phenyl carbonate
CID 3084543
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol
CID 62722209
(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
CID 171267031

Frequently Asked Questions

What is the IUPAC name of O-(4-methoxyphenyl) benzylselanylmethaneselenoate?
The IUPAC name of O-(4-methoxyphenyl) benzylselanylmethaneselenoate (CID 102600172) is O-(4-methoxyphenyl) benzylselanylmethaneselenoate.
What is the SMILES notation for O-(4-methoxyphenyl) benzylselanylmethaneselenoate?
The canonical SMILES for O-(4-methoxyphenyl) benzylselanylmethaneselenoate is COc1ccc(OC(=[Se])[Se]Cc2ccccc2)cc1.
What is the InChIKey of O-(4-methoxyphenyl) benzylselanylmethaneselenoate?
The InChIKey is NLEXPIRMOGVEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2Se2/c1-16-13-7-9-14(10-8-13)17-15(18)19-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of O-(4-methoxyphenyl) benzylselanylmethaneselenoate?
O-(4-methoxyphenyl) benzylselanylmethaneselenoate has a molecular weight of 384.20 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(4-methoxyphenyl) benzylselanylmethaneselenoate is sourced from PubChem (CID 102600172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).