6-bromo-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]

C13H15BrO — CID 22568885

IUPAC6-bromo-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]
SMILESCC1(C)CC2(CC2)Oc2ccc(Br)cc21
InChIInChI=1S/C13H15BrO/c1-12(2)8-13(5-6-13)15-11-4-3-9(14)7-10(11)12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyFJWHLTBVUDQGRV-UHFFFAOYSA-N
MW267.17 g/mol
LogP4.04
Rot. Bonds

About 6-bromo-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]

6-bromo-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane] (PubChem CID 22568885) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 6-bromo-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane].

Molecular Properties

Compound Name6-bromo-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]
PubChem CID22568885
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name6-bromo-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]
SMILESCC1(C)CC2(CC2)Oc2ccc(Br)cc21
InChIInChI=1S/C13H15BrO/c1-12(2)8-13(5-6-13)15-11-4-3-9(14)7-10(11)12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyFJWHLTBVUDQGRV-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]?
The IUPAC name of 6-bromo-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane] (CID 22568885) is 6-bromo-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane].
What is the SMILES notation for 6-bromo-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]?
The canonical SMILES for 6-bromo-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane] is CC1(C)CC2(CC2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]?
The InChIKey is FJWHLTBVUDQGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c1-12(2)8-13(5-6-13)15-11-4-3-9(14)7-10(11)12/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 6-bromo-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]?
6-bromo-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane] has a molecular weight of 267.17 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane] is sourced from PubChem (CID 22568885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).