7'-bromospiro[1,3-dioxolane-2,4'-2,3-dihydrochromene]

C11H11BrO3 — CID 18996063

IUPAC7'-bromospiro[1,3-dioxolane-2,4'-2,3-dihydrochromene]
SMILESBrc1ccc2c(c1)OCCC21OCCO1
InChIInChI=1S/C11H11BrO3/c12-8-1-2-9-10(7-8)13-4-3-11(9)14-5-6-15-11/h1-2,7H,3-6H2
InChIKeyYZKUZIHEVQTJIL-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.43
Rot. Bonds

About 7'-bromospiro[1,3-dioxolane-2,4'-2,3-dihydrochromene]

7'-bromospiro[1,3-dioxolane-2,4'-2,3-dihydrochromene] (PubChem CID 18996063) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is 7'-bromospiro[1,3-dioxolane-2,4'-2,3-dihydrochromene].

Molecular Properties

Compound Name7'-bromospiro[1,3-dioxolane-2,4'-2,3-dihydrochromene]
PubChem CID18996063
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Name7'-bromospiro[1,3-dioxolane-2,4'-2,3-dihydrochromene]
SMILESBrc1ccc2c(c1)OCCC21OCCO1
InChIInChI=1S/C11H11BrO3/c12-8-1-2-9-10(7-8)13-4-3-11(9)14-5-6-15-11/h1-2,7H,3-6H2
InChIKeyYZKUZIHEVQTJIL-UHFFFAOYSA-N
XLogP2.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7'-bromospiro[1,3-dioxolane-2,4'-2,3-dihydrochromene]?
The IUPAC name of 7'-bromospiro[1,3-dioxolane-2,4'-2,3-dihydrochromene] (CID 18996063) is 7'-bromospiro[1,3-dioxolane-2,4'-2,3-dihydrochromene].
What is the SMILES notation for 7'-bromospiro[1,3-dioxolane-2,4'-2,3-dihydrochromene]?
The canonical SMILES for 7'-bromospiro[1,3-dioxolane-2,4'-2,3-dihydrochromene] is Brc1ccc2c(c1)OCCC21OCCO1.
What is the InChIKey of 7'-bromospiro[1,3-dioxolane-2,4'-2,3-dihydrochromene]?
The InChIKey is YZKUZIHEVQTJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c12-8-1-2-9-10(7-8)13-4-3-11(9)14-5-6-15-11/h1-2,7H,3-6H2.
What are the key properties of 7'-bromospiro[1,3-dioxolane-2,4'-2,3-dihydrochromene]?
7'-bromospiro[1,3-dioxolane-2,4'-2,3-dihydrochromene] has a molecular weight of 271.11 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-bromospiro[1,3-dioxolane-2,4'-2,3-dihydrochromene] is sourced from PubChem (CID 18996063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).