(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl furan-2-carboxylate

C14H11ClO5 — CID 18196862

IUPAC(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl furan-2-carboxylate
SMILESO=C(OCc1cc(Cl)c2c(c1)OCCO2)c1ccco1
InChIInChI=1S/C14H11ClO5/c15-10-6-9(7-12-13(10)19-5-4-18-12)8-20-14(16)11-2-1-3-17-11/h1-3,6-7H,4-5,8H2
InChIKeyZNWCEAMALMAXGB-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.06
Rot. Bonds3

About (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl furan-2-carboxylate

(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl furan-2-carboxylate (PubChem CID 18196862) has the molecular formula C14H11ClO5 and a molecular weight of 294.69 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl furan-2-carboxylate.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl furan-2-carboxylate
PubChem CID18196862
Molecular FormulaC14H11ClO5
Molecular Weight294.69 g/mol
Exact Mass294.03
IUPAC Name(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl furan-2-carboxylate
SMILESO=C(OCc1cc(Cl)c2c(c1)OCCO2)c1ccco1
InChIInChI=1S/C14H11ClO5/c15-10-6-9(7-12-13(10)19-5-4-18-12)8-20-14(16)11-2-1-3-17-11/h1-3,6-7H,4-5,8H2
InChIKeyZNWCEAMALMAXGB-UHFFFAOYSA-N
XLogP3.06
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18226937
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3,5-dimethylbenzoate
CID 7604452
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 5-methylthiophene-2-carboxylate
CID 24633828
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate
CID 9291598
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1H-indole-2-carboxylate
CID 7630693
2-O-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504982
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1H-indole-3-carboxylate
CID 7644968
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-propan-2-yloxybenzoate
CID 7627354
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-hydroxy-5-methoxybenzoate
CID 7630683
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(4-fluorophenyl)acetate
CID 33194058
(3-carbamoylphenyl)methyl 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate
CID 55634262
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 16562450

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl furan-2-carboxylate?
The IUPAC name of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl furan-2-carboxylate (CID 18196862) is (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl furan-2-carboxylate.
What is the SMILES notation for (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl furan-2-carboxylate?
The canonical SMILES for (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl furan-2-carboxylate is O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1ccco1.
What is the InChIKey of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl furan-2-carboxylate?
The InChIKey is ZNWCEAMALMAXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO5/c15-10-6-9(7-12-13(10)19-5-4-18-12)8-20-14(16)11-2-1-3-17-11/h1-3,6-7H,4-5,8H2.
What are the key properties of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl furan-2-carboxylate?
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl furan-2-carboxylate has a molecular weight of 294.69 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl furan-2-carboxylate is sourced from PubChem (CID 18196862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).