5-chloro-2-(phenylselanylmethyl)-2,3-dihydro-1-benzofuran

C15H13ClOSe — CID 56961244

IUPAC5-chloro-2-(phenylselanylmethyl)-2,3-dihydro-1-benzofuran
SMILESClc1ccc2c(c1)CC(C[Se]c1ccccc1)O2
InChIInChI=1S/C15H13ClOSe/c16-12-6-7-15-11(8-12)9-13(17-15)10-18-14-4-2-1-3-5-14/h1-8,13H,9-10H2
InChIKeyBZQSYUAUEKACDI-UHFFFAOYSA-N
MW323.68 g/mol
LogP3.09
Rot. Bonds3

About 5-chloro-2-(phenylselanylmethyl)-2,3-dihydro-1-benzofuran

5-chloro-2-(phenylselanylmethyl)-2,3-dihydro-1-benzofuran (PubChem CID 56961244) has the molecular formula C15H13ClOSe and a molecular weight of 323.68 g/mol. Its IUPAC name is 5-chloro-2-(phenylselanylmethyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-chloro-2-(phenylselanylmethyl)-2,3-dihydro-1-benzofuran
PubChem CID56961244
Molecular FormulaC15H13ClOSe
Molecular Weight323.68 g/mol
Exact Mass323.98
IUPAC Name5-chloro-2-(phenylselanylmethyl)-2,3-dihydro-1-benzofuran
SMILESClc1ccc2c(c1)CC(C[Se]c1ccccc1)O2
InChIInChI=1S/C15H13ClOSe/c16-12-6-7-15-11(8-12)9-13(17-15)10-18-14-4-2-1-3-5-14/h1-8,13H,9-10H2
InChIKeyBZQSYUAUEKACDI-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.68
LogP ≤ 53.09
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

[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 40566108
(1S)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylethanamine
CID 66392619
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine
CID 66391607
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylcyclopropan-1-amine
CID 66392019
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline
CID 66393539
2-(azidomethyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 66362547
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
CID 66394858
(2S)-2-bromo-5-chloro-2,3-dihydro-1-benzofuran
CID 142930046
2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-propan-2-ylamino]acetic acid
CID 66362741
(2S)-2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methoxy]propanoic acid
CID 104876369
(1S)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81370641
2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2-methylpropanoic acid
CID 66361597

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(phenylselanylmethyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-chloro-2-(phenylselanylmethyl)-2,3-dihydro-1-benzofuran (CID 56961244) is 5-chloro-2-(phenylselanylmethyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-chloro-2-(phenylselanylmethyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-chloro-2-(phenylselanylmethyl)-2,3-dihydro-1-benzofuran is Clc1ccc2c(c1)CC(C[Se]c1ccccc1)O2.
What is the InChIKey of 5-chloro-2-(phenylselanylmethyl)-2,3-dihydro-1-benzofuran?
The InChIKey is BZQSYUAUEKACDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClOSe/c16-12-6-7-15-11(8-12)9-13(17-15)10-18-14-4-2-1-3-5-14/h1-8,13H,9-10H2.
What are the key properties of 5-chloro-2-(phenylselanylmethyl)-2,3-dihydro-1-benzofuran?
5-chloro-2-(phenylselanylmethyl)-2,3-dihydro-1-benzofuran has a molecular weight of 323.68 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(phenylselanylmethyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 56961244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).