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

C13H10O3S — CID 43462591

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H10O3S/c14-13(10-3-6-17-8-10)9-1-2-11-12(7-9)16-5-4-15-11/h1-3,6-8H,4-5H2
InChIKeyHDGNBRXPBPLFCD-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.75
Rot. Bonds2

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

2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-3-yl)methanone (PubChem CID 43462591) has the molecular formula C13H10O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-3-yl)methanone
PubChem CID43462591
Molecular FormulaC13H10O3S
Molecular Weight246.29 g/mol
Exact Mass246.04
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H10O3S/c14-13(10-3-6-17-8-10)9-1-2-11-12(7-9)16-5-4-15-11/h1-3,6-8H,4-5H2
InChIKeyHDGNBRXPBPLFCD-UHFFFAOYSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[24-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene-11-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)methanone
CID 3265829
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-3-carboxamide
CID 18152283
2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-4-yl)methanone
CID 105094278
2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
2,3-dihydro-1,4-benzodioxin-6-yl(thieno[3,2-b]pyridin-6-yl)methanone
CID 81154316
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone
CID 81127963
2,3-dihydro-1,4-benzodioxin-6-yl(1,2,5-thiadiazol-3-yl)methanone
CID 105094160
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
5-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)furan-2-carboxylic acid
CID 97034694
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylsulfanylphenyl)methanone
CID 106848083
(2R)-2-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one
CID 7353989

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-3-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-3-yl)methanone (CID 43462591) is 2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-3-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-3-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-3-yl)methanone is O=C(c1ccsc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-3-yl)methanone?
The InChIKey is HDGNBRXPBPLFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3S/c14-13(10-3-6-17-8-10)9-1-2-11-12(7-9)16-5-4-15-11/h1-3,6-8H,4-5H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-3-yl)methanone?
2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-3-yl)methanone has a molecular weight of 246.29 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-3-yl)methanone is sourced from PubChem (CID 43462591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).