4,4'-bis(chloromethyl)-3,3'-spirobi[1,2-dihydroindene]

C19H18Cl2 — CID 102350291

IUPAC4,4'-bis(chloromethyl)-3,3'-spirobi[1,2-dihydroindene]
SMILESClCc1cccc2c1C1(CC2)CCc2cccc(CCl)c21
InChIInChI=1S/C19H18Cl2/c20-11-15-5-1-3-13-7-9-19(17(13)15)10-8-14-4-2-6-16(12-21)18(14)19/h1-6H,7-12H2
InChIKeySRCURMUXXRANHP-UHFFFAOYSA-N
MW317.26 g/mol
LogP5.34
Rot. Bonds2

About 4,4'-bis(chloromethyl)-3,3'-spirobi[1,2-dihydroindene]

4,4'-bis(chloromethyl)-3,3'-spirobi[1,2-dihydroindene] (PubChem CID 102350291) has the molecular formula C19H18Cl2 and a molecular weight of 317.26 g/mol. Its IUPAC name is 4,4'-bis(chloromethyl)-3,3'-spirobi[1,2-dihydroindene].

Molecular Properties

Compound Name4,4'-bis(chloromethyl)-3,3'-spirobi[1,2-dihydroindene]
PubChem CID102350291
Molecular FormulaC19H18Cl2
Molecular Weight317.26 g/mol
Exact Mass316.08
IUPAC Name4,4'-bis(chloromethyl)-3,3'-spirobi[1,2-dihydroindene]
SMILESClCc1cccc2c1C1(CC2)CCc2cccc(CCl)c21
InChIInChI=1S/C19H18Cl2/c20-11-15-5-1-3-13-7-9-19(17(13)15)10-8-14-4-2-6-16(12-21)18(14)19/h1-6H,7-12H2
InChIKeySRCURMUXXRANHP-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.26
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4'-bis(chloromethyl)-3,3'-spirobi[1,2-dihydroindene]?
The IUPAC name of 4,4'-bis(chloromethyl)-3,3'-spirobi[1,2-dihydroindene] (CID 102350291) is 4,4'-bis(chloromethyl)-3,3'-spirobi[1,2-dihydroindene].
What is the SMILES notation for 4,4'-bis(chloromethyl)-3,3'-spirobi[1,2-dihydroindene]?
The canonical SMILES for 4,4'-bis(chloromethyl)-3,3'-spirobi[1,2-dihydroindene] is ClCc1cccc2c1C1(CC2)CCc2cccc(CCl)c21.
What is the InChIKey of 4,4'-bis(chloromethyl)-3,3'-spirobi[1,2-dihydroindene]?
The InChIKey is SRCURMUXXRANHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2/c20-11-15-5-1-3-13-7-9-19(17(13)15)10-8-14-4-2-6-16(12-21)18(14)19/h1-6H,7-12H2.
What are the key properties of 4,4'-bis(chloromethyl)-3,3'-spirobi[1,2-dihydroindene]?
4,4'-bis(chloromethyl)-3,3'-spirobi[1,2-dihydroindene] has a molecular weight of 317.26 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4'-bis(chloromethyl)-3,3'-spirobi[1,2-dihydroindene] is sourced from PubChem (CID 102350291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).