7'-(4-bromophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene]

C18H21BrO2 — CID 22384007

IUPAC7'-(4-bromophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene]
SMILESBrc1ccc(C2=CC3CCC4(CC3CC2)OCCO4)cc1
InChIInChI=1S/C18H21BrO2/c19-17-5-3-13(4-6-17)14-1-2-16-12-18(20-9-10-21-18)8-7-15(16)11-14/h3-6,11,15-16H,1-2,7-10,12H2
InChIKeyVGIKPTMRXUPEEG-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.79
Rot. Bonds1

About 7'-(4-bromophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene]

7'-(4-bromophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene] (PubChem CID 22384007) has the molecular formula C18H21BrO2 and a molecular weight of 349.27 g/mol. Its IUPAC name is 7'-(4-bromophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene].

Molecular Properties

Compound Name7'-(4-bromophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene]
PubChem CID22384007
Molecular FormulaC18H21BrO2
Molecular Weight349.27 g/mol
Exact Mass348.07
IUPAC Name7'-(4-bromophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene]
SMILESBrc1ccc(C2=CC3CCC4(CC3CC2)OCCO4)cc1
InChIInChI=1S/C18H21BrO2/c19-17-5-3-13(4-6-17)14-1-2-16-12-18(20-9-10-21-18)8-7-15(16)11-14/h3-6,11,15-16H,1-2,7-10,12H2
InChIKeyVGIKPTMRXUPEEG-UHFFFAOYSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7'-(4-bromophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene] with MolForge

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Related Compounds

8-(4-Bromophenyl)-1,4-dioxaspiro[4.5]decane
CID 10402350
8-(4-Bromo-2-fluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 132051876
6'-Bromo-8'-fluoro-spiro[1,3-dioxolane-2,2'-tetralin]
CID 155103668
2,2-Bis(4-bromobenzyl)-1,3-dioxolane
CID 146018490
(1'R,3'aR,7'aR)-1'-phenylspiro[1,3-dioxolane-2,6'-1,3a,4,5,7,7a-hexahydroindene]
CID 155936762
1,4-Dioxaspiro[4.5]dec-7-ene, 8-(4-bromophenyl)-
CID 10085850
8'-Bromo-3',4'-dihydrospiro-[1,3-dioxolane-2,2'(1h)-naphthalene]
CID 10468278
2-(4-Bromophenyl)-5,8-dioxaspiro[3.4]octane
CID 10612013
7-(2-Bromobenzyl)-8-methylene-1,4-dioxaspiro[4.5]decane
CID 10829728
(4'aS,8'aS)-7'-(4-bromophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene]
CID 20807912
(4'aS,8'aR)-3'-(4-bromophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]
CID 20808477
3'-(4-bromophenyl)spiro[1,3-dioxolane-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]
CID 22383417

Frequently Asked Questions

What is the IUPAC name of 7'-(4-bromophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene]?
The IUPAC name of 7'-(4-bromophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene] (CID 22384007) is 7'-(4-bromophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene].
What is the SMILES notation for 7'-(4-bromophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene]?
The canonical SMILES for 7'-(4-bromophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene] is Brc1ccc(C2=CC3CCC4(CC3CC2)OCCO4)cc1.
What is the InChIKey of 7'-(4-bromophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene]?
The InChIKey is VGIKPTMRXUPEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO2/c19-17-5-3-13(4-6-17)14-1-2-16-12-18(20-9-10-21-18)8-7-15(16)11-14/h3-6,11,15-16H,1-2,7-10,12H2.
What are the key properties of 7'-(4-bromophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene]?
7'-(4-bromophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene] has a molecular weight of 349.27 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-(4-bromophenyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene] is sourced from PubChem (CID 22384007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).