6,6'-dibromo-2,2'-spirobi[chromene]

C17H10Br2O2 — CID 135027616

IUPAC6,6'-dibromo-2,2'-spirobi[chromene]
SMILESBrc1ccc2c(c1)C=CC1(C=Cc3cc(Br)ccc3O1)O2
InChIInChI=1S/C17H10Br2O2/c18-13-1-3-15-11(9-13)5-7-17(20-15)8-6-12-10-14(19)2-4-16(12)21-17/h1-10H
InChIKeyRKJJJWACIVKILB-UHFFFAOYSA-N
MW406.07 g/mol
LogP5.42
Rot. Bonds

About 6,6'-dibromo-2,2'-spirobi[chromene]

6,6'-dibromo-2,2'-spirobi[chromene] (PubChem CID 135027616) has the molecular formula C17H10Br2O2 and a molecular weight of 406.07 g/mol. Its IUPAC name is 6,6'-dibromo-2,2'-spirobi[chromene].

Molecular Properties

Compound Name6,6'-dibromo-2,2'-spirobi[chromene]
PubChem CID135027616
Molecular FormulaC17H10Br2O2
Molecular Weight406.07 g/mol
Exact Mass403.90
IUPAC Name6,6'-dibromo-2,2'-spirobi[chromene]
SMILESBrc1ccc2c(c1)C=CC1(C=Cc3cc(Br)ccc3O1)O2
InChIInChI=1S/C17H10Br2O2/c18-13-1-3-15-11(9-13)5-7-17(20-15)8-6-12-10-14(19)2-4-16(12)21-17/h1-10H
InChIKeyRKJJJWACIVKILB-UHFFFAOYSA-N
XLogP5.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.07
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6'-dibromo-2,2'-spirobi[chromene]?
The IUPAC name of 6,6'-dibromo-2,2'-spirobi[chromene] (CID 135027616) is 6,6'-dibromo-2,2'-spirobi[chromene].
What is the SMILES notation for 6,6'-dibromo-2,2'-spirobi[chromene]?
The canonical SMILES for 6,6'-dibromo-2,2'-spirobi[chromene] is Brc1ccc2c(c1)C=CC1(C=Cc3cc(Br)ccc3O1)O2.
What is the InChIKey of 6,6'-dibromo-2,2'-spirobi[chromene]?
The InChIKey is RKJJJWACIVKILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br2O2/c18-13-1-3-15-11(9-13)5-7-17(20-15)8-6-12-10-14(19)2-4-16(12)21-17/h1-10H.
What are the key properties of 6,6'-dibromo-2,2'-spirobi[chromene]?
6,6'-dibromo-2,2'-spirobi[chromene] has a molecular weight of 406.07 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6'-dibromo-2,2'-spirobi[chromene] is sourced from PubChem (CID 135027616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).