2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone

C14H12O4S — CID 81127963

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H12O4S/c1-16-11-4-7-19-14(11)13(15)9-2-3-10-12(8-9)18-6-5-17-10/h2-4,7-8H,5-6H2,1H3
InChIKeyKVCVKCKDEHQYKN-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.76
Rot. Bonds3

About 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone

2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone (PubChem CID 81127963) has the molecular formula C14H12O4S and a molecular weight of 276.31 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone
PubChem CID81127963
Molecular FormulaC14H12O4S
Molecular Weight276.31 g/mol
Exact Mass276.05
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H12O4S/c1-16-11-4-7-19-14(11)13(15)9-2-3-10-12(8-9)18-6-5-17-10/h2-4,7-8H,5-6H2,1H3
InChIKeyKVCVKCKDEHQYKN-UHFFFAOYSA-N
XLogP2.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone
CID 81121662
(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone
CID 81118249
(4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81124722
(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 63797718
(4-bromophenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127338
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 60786281
2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone
CID 115793344
6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 81126938
2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-3-yl)methanone
CID 43462591
N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 2476387
(3-methoxythiophen-2-yl)-(1H-pyrrol-3-yl)methanone
CID 81126948
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)ethanone
CID 7834366

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone (CID 81127963) is 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone is COc1ccsc1C(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone?
The InChIKey is KVCVKCKDEHQYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4S/c1-16-11-4-7-19-14(11)13(15)9-2-3-10-12(8-9)18-6-5-17-10/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone?
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone has a molecular weight of 276.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81127963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).