5'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]

C13H15BrO2 — CID 137382331

IUPAC5'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESCC1COC2(CCc3cccc(Br)c3C2)O1
InChIInChI=1S/C13H15BrO2/c1-9-8-15-13(16-9)6-5-10-3-2-4-12(14)11(10)7-13/h2-4,9H,5-8H2,1H3
InChIKeyYDNHROGWMNCCGP-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.07
Rot. Bonds

About 5'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]

5'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] (PubChem CID 137382331) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 5'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene].

Molecular Properties

Compound Name5'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
PubChem CID137382331
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name5'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESCC1COC2(CCc3cccc(Br)c3C2)O1
InChIInChI=1S/C13H15BrO2/c1-9-8-15-13(16-9)6-5-10-3-2-4-12(14)11(10)7-13/h2-4,9H,5-8H2,1H3
InChIKeyYDNHROGWMNCCGP-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The IUPAC name of 5'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] (CID 137382331) is 5'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene].
What is the SMILES notation for 5'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The canonical SMILES for 5'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] is CC1COC2(CCc3cccc(Br)c3C2)O1.
What is the InChIKey of 5'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The InChIKey is YDNHROGWMNCCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c1-9-8-15-13(16-9)6-5-10-3-2-4-12(14)11(10)7-13/h2-4,9H,5-8H2,1H3.
What are the key properties of 5'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
5'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] has a molecular weight of 283.16 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] is sourced from PubChem (CID 137382331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).