(2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane

C18H20O2Se — CID 134882559

IUPAC(2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane
SMILESCOc1ccccc1[C@@H]1OCCC[C@H]1[Se]c1ccccc1
InChIInChI=1S/C18H20O2Se/c1-19-16-11-6-5-10-15(16)18-17(12-7-13-20-18)21-14-8-3-2-4-9-14/h2-6,8-11,17-18H,7,12-13H2,1H3/t17-,18+/m1/s1
InChIKeyVDTPNTJBPDFJNP-MSOLQXFVSA-N
MW347.32 g/mol
LogP3.36
Rot. Bonds4

About (2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane

(2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane (PubChem CID 134882559) has the molecular formula C18H20O2Se and a molecular weight of 347.32 g/mol. Its IUPAC name is (2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane.

Molecular Properties

Compound Name(2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane
PubChem CID134882559
Molecular FormulaC18H20O2Se
Molecular Weight347.32 g/mol
Exact Mass348.06
IUPAC Name(2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane
SMILESCOc1ccccc1[C@@H]1OCCC[C@H]1[Se]c1ccccc1
InChIInChI=1S/C18H20O2Se/c1-19-16-11-6-5-10-15(16)18-17(12-7-13-20-18)21-14-8-3-2-4-9-14/h2-6,8-11,17-18H,7,12-13H2,1H3/t17-,18+/m1/s1
InChIKeyVDTPNTJBPDFJNP-MSOLQXFVSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-2-phenyl-3-phenylselanyloxane
CID 101160318
N-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79365291
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
(4aR,5R,10bR)-5-(2-methoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11119990
(4aR,5S,10bR)-5-(2-methoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11748458
[(1R,2R)-2-methoxycyclopentyl]selanylbenzene
CID 13444245
7-phenylselanyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 12654992
2,5-bis(2-methoxyphenyl)-1-methylphospholane
CID 90111468
4-(2-methoxyphenyl)oxane
CID 121009799
2-(2,5-dimethoxyphenyl)oxan-3-amine
CID 79364595
5-(2-methoxyphenyl)-9-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 43912547
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane?
The IUPAC name of (2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane (CID 134882559) is (2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane.
What is the SMILES notation for (2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane?
The canonical SMILES for (2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane is COc1ccccc1[C@@H]1OCCC[C@H]1[Se]c1ccccc1.
What is the InChIKey of (2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane?
The InChIKey is VDTPNTJBPDFJNP-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H20O2Se/c1-19-16-11-6-5-10-15(16)18-17(12-7-13-20-18)21-14-8-3-2-4-9-14/h2-6,8-11,17-18H,7,12-13H2,1H3/t17-,18+/m1/s1.
What are the key properties of (2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane?
(2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane has a molecular weight of 347.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane is sourced from PubChem (CID 134882559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).