6-propoxy-1-benzoselenophene

C11H12OSe — CID 87576493

IUPAC6-propoxy-1-benzoselenophene
SMILESCCCOc1ccc2cc[se]c2c1
InChIInChI=1S/C11H12OSe/c1-2-6-12-10-4-3-9-5-7-13-11(9)8-10/h3-5,7-8H,2,6H2,1H3
InChIKeyQHCWPZANDRYQRU-UHFFFAOYSA-N
MW239.18 g/mol
LogP2.69
Rot. Bonds3

About 6-propoxy-1-benzoselenophene

6-propoxy-1-benzoselenophene (PubChem CID 87576493) has the molecular formula C11H12OSe and a molecular weight of 239.18 g/mol. Its IUPAC name is 6-propoxy-1-benzoselenophene.

Molecular Properties

Compound Name6-propoxy-1-benzoselenophene
PubChem CID87576493
Molecular FormulaC11H12OSe
Molecular Weight239.18 g/mol
Exact Mass240.01
IUPAC Name6-propoxy-1-benzoselenophene
SMILESCCCOc1ccc2cc[se]c2c1
InChIInChI=1S/C11H12OSe/c1-2-6-12-10-4-3-9-5-7-13-11(9)8-10/h3-5,7-8H,2,6H2,1H3
InChIKeyQHCWPZANDRYQRU-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 52.69
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

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CID 125116367
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2-chloro-1-ethyl-4-propoxybenzene
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3-methyl-7-propoxyquinoline
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2-butoxy-6-methylnaphthalene
CID 58718847
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
1-bromo-2-(difluoromethyl)-4-propoxybenzene
CID 154815131
4,6-dichloro-2-(4-propoxyphenyl)pyrimidine
CID 63612097
1,3-dibromo-5-propoxybenzene
CID 58270933
CID 57452703
CID 57452703
5-propoxy-2,1,3-benzoxadiazole
CID 142905316
lithium (2,4,6-tripropoxyphenyl)phosphanide
CID 141016001

Frequently Asked Questions

What is the IUPAC name of 6-propoxy-1-benzoselenophene?
The IUPAC name of 6-propoxy-1-benzoselenophene (CID 87576493) is 6-propoxy-1-benzoselenophene.
What is the SMILES notation for 6-propoxy-1-benzoselenophene?
The canonical SMILES for 6-propoxy-1-benzoselenophene is CCCOc1ccc2cc[se]c2c1.
What is the InChIKey of 6-propoxy-1-benzoselenophene?
The InChIKey is QHCWPZANDRYQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OSe/c1-2-6-12-10-4-3-9-5-7-13-11(9)8-10/h3-5,7-8H,2,6H2,1H3.
What are the key properties of 6-propoxy-1-benzoselenophene?
6-propoxy-1-benzoselenophene has a molecular weight of 239.18 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-1-benzoselenophene is sourced from PubChem (CID 87576493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).