bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone

C23H22O5 — CID 19973671

IUPACbis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
SMILESO=C(C1(c2ccc3c(c2)OCCO3)CC1)C1(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C23H22O5/c24-21(22(5-6-22)15-1-3-17-19(13-15)27-11-9-25-17)23(7-8-23)16-2-4-18-20(14-16)28-12-10-26-18/h1-4,13-14H,5-12H2
InChIKeySDOQUHWLLIFLDB-UHFFFAOYSA-N
MW378.42 g/mol
LogP3.56
Rot. Bonds4

About bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone

bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone (PubChem CID 19973671) has the molecular formula C23H22O5 and a molecular weight of 378.42 g/mol. Its IUPAC name is bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone.

Molecular Properties

Compound Namebis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
PubChem CID19973671
Molecular FormulaC23H22O5
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC Namebis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
SMILESO=C(C1(c2ccc3c(c2)OCCO3)CC1)C1(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C23H22O5/c24-21(22(5-6-22)15-1-3-17-19(13-15)27-11-9-25-17)23(7-8-23)16-2-4-18-20(14-16)28-12-10-26-18/h1-4,13-14H,5-12H2
InChIKeySDOQUHWLLIFLDB-UHFFFAOYSA-N
XLogP3.56
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-morpholin-4-ylmethanone
CID 113198624
4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carbonyl chloride
CID 172907265
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 113198662
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
CID 116844402
N-(3,5-dichlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 113198788
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113198614
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclopropane-1-carbohydrazide
CID 116846036
1-(2,2-dideuterio-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
CID 59129454
4-(1,3-benzodioxol-5-yl)oxane-4-carbonyl chloride
CID 172994841
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 113198650
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 113198628
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide
CID 113198710

Frequently Asked Questions

What is the IUPAC name of bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone?
The IUPAC name of bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone (CID 19973671) is bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone.
What is the SMILES notation for bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone?
The canonical SMILES for bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone is O=C(C1(c2ccc3c(c2)OCCO3)CC1)C1(c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone?
The InChIKey is SDOQUHWLLIFLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O5/c24-21(22(5-6-22)15-1-3-17-19(13-15)27-11-9-25-17)23(7-8-23)16-2-4-18-20(14-16)28-12-10-26-18/h1-4,13-14H,5-12H2.
What are the key properties of bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone?
bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone has a molecular weight of 378.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone is sourced from PubChem (CID 19973671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).