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

C13H15BrO2 — CID 57276089

IUPAC7'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESCC1COC2(CCc3cc(Br)ccc3C2)O1
InChIInChI=1S/C13H15BrO2/c1-9-8-15-13(16-9)5-4-10-6-12(14)3-2-11(10)7-13/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyVHCIGQGLDUTHNA-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.07
Rot. Bonds

About 7'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]

7'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] (PubChem CID 57276089) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 7'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene].

Molecular Properties

Compound Name7'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
PubChem CID57276089
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name7'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
SMILESCC1COC2(CCc3cc(Br)ccc3C2)O1
InChIInChI=1S/C13H15BrO2/c1-9-8-15-13(16-9)5-4-10-6-12(14)3-2-11(10)7-13/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyVHCIGQGLDUTHNA-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

Analyze 7'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The IUPAC name of 7'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] (CID 57276089) is 7'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene].
What is the SMILES notation for 7'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The canonical SMILES for 7'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] is CC1COC2(CCc3cc(Br)ccc3C2)O1.
What is the InChIKey of 7'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
The InChIKey is VHCIGQGLDUTHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c1-9-8-15-13(16-9)5-4-10-6-12(14)3-2-11(10)7-13/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 7'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]?
7'-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 7'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene] is sourced from PubChem (CID 57276089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).