(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylfuran-2-yl)methanone

C14H11ClO4 — CID 43463545

IUPAC(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc3c(cc2Cl)OCCO3)o1
InChIInChI=1S/C14H11ClO4/c1-8-2-3-11(19-8)14(16)9-6-12-13(7-10(9)15)18-5-4-17-12/h2-3,6-7H,4-5H2,1H3
InChIKeyGNKYKIHAOGXHIO-UHFFFAOYSA-N
MW278.69 g/mol
LogP3.24
Rot. Bonds2

About (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylfuran-2-yl)methanone

(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylfuran-2-yl)methanone (PubChem CID 43463545) has the molecular formula C14H11ClO4 and a molecular weight of 278.69 g/mol. Its IUPAC name is (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylfuran-2-yl)methanone
PubChem CID43463545
Molecular FormulaC14H11ClO4
Molecular Weight278.69 g/mol
Exact Mass278.03
IUPAC Name(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc3c(cc2Cl)OCCO3)o1
InChIInChI=1S/C14H11ClO4/c1-8-2-3-11(19-8)14(16)9-6-12-13(7-10(9)15)18-5-4-17-12/h2-3,6-7H,4-5H2,1H3
InChIKeyGNKYKIHAOGXHIO-UHFFFAOYSA-N
XLogP3.24
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylfuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-7-(5-methylfuran-2-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43463618
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylthiophen-2-yl)methanone
CID 43463549
4-methyl-N-[7-(5-methylfuran-2-carbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzenesulfonamide
CID 7148140
(2-bromo-5-methylphenyl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
CID 81109944
6-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl chloride
CID 82632082
(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone
CID 43463771
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-chlorophenyl)ethanone
CID 43340567
(2,5-dichlorothiophen-3-yl)-(5-methylfuran-2-yl)methanone
CID 43463797
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-difluorophenyl)methanone
CID 43340605
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-methylphenyl)methanone
CID 43340633
(3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone
CID 81323383
(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dichlorophenyl)methanone
CID 7148513

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylfuran-2-yl)methanone (CID 43463545) is (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)c2cc3c(cc2Cl)OCCO3)o1.
What is the InChIKey of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylfuran-2-yl)methanone?
The InChIKey is GNKYKIHAOGXHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO4/c1-8-2-3-11(19-8)14(16)9-6-12-13(7-10(9)15)18-5-4-17-12/h2-3,6-7H,4-5H2,1H3.
What are the key properties of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylfuran-2-yl)methanone?
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylfuran-2-yl)methanone has a molecular weight of 278.69 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 43463545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).