4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carbonyl chloride

C14H15ClO4 — CID 172907265

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carbonyl chloride
SMILESO=C(Cl)C1(c2ccc3c(c2)OCCO3)CCOCC1
InChIInChI=1S/C14H15ClO4/c15-13(16)14(3-5-17-6-4-14)10-1-2-11-12(9-10)19-8-7-18-11/h1-2,9H,3-8H2
InChIKeyVZDHVQKWFHSHQF-UHFFFAOYSA-N
MW282.72 g/mol
LogP2.27
Rot. Bonds2

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carbonyl chloride

4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carbonyl chloride (PubChem CID 172907265) has the molecular formula C14H15ClO4 and a molecular weight of 282.72 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carbonyl chloride.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carbonyl chloride
PubChem CID172907265
Molecular FormulaC14H15ClO4
Molecular Weight282.72 g/mol
Exact Mass282.07
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carbonyl chloride
SMILESO=C(Cl)C1(c2ccc3c(c2)OCCO3)CCOCC1
InChIInChI=1S/C14H15ClO4/c15-13(16)14(3-5-17-6-4-14)10-1-2-11-12(9-10)19-8-7-18-11/h1-2,9H,3-8H2
InChIKeyVZDHVQKWFHSHQF-UHFFFAOYSA-N
XLogP2.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-benzodioxol-5-yl)oxane-4-carbonyl chloride
CID 172994841
bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 19973671
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-morpholin-4-ylmethanone
CID 113198624
2-(diethylamino)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carboxylate
CID 30448665
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-(2,2-dideuterio-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
CID 59129454
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 113198662
(2-morpholin-4-yl-2-oxoethyl) 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate
CID 26989506
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 25332750
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide
CID 146106549

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carbonyl chloride?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carbonyl chloride (CID 172907265) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carbonyl chloride.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carbonyl chloride?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carbonyl chloride is O=C(Cl)C1(c2ccc3c(c2)OCCO3)CCOCC1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carbonyl chloride?
The InChIKey is VZDHVQKWFHSHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO4/c15-13(16)14(3-5-17-6-4-14)10-1-2-11-12(9-10)19-8-7-18-11/h1-2,9H,3-8H2.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carbonyl chloride?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carbonyl chloride has a molecular weight of 282.72 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)oxane-4-carbonyl chloride is sourced from PubChem (CID 172907265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).