6-bromo-2',2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol

C15H19BrO3 — CID 114715593

IUPAC6-bromo-2',2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
SMILESCC1(C)CC2(CCO1)CC(O)c1cc(Br)ccc1O2
InChIInChI=1S/C15H19BrO3/c1-14(2)9-15(5-6-18-14)8-12(17)11-7-10(16)3-4-13(11)19-15/h3-4,7,12,17H,5-6,8-9H2,1-2H3
InChIKeyZNKLZVHCSXTOAU-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.59
Rot. Bonds

About 6-bromo-2',2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol

6-bromo-2',2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol (PubChem CID 114715593) has the molecular formula C15H19BrO3 and a molecular weight of 327.22 g/mol. Its IUPAC name is 6-bromo-2',2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol.

Molecular Properties

Compound Name6-bromo-2',2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
PubChem CID114715593
Molecular FormulaC15H19BrO3
Molecular Weight327.22 g/mol
Exact Mass326.05
IUPAC Name6-bromo-2',2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
SMILESCC1(C)CC2(CCO1)CC(O)c1cc(Br)ccc1O2
InChIInChI=1S/C15H19BrO3/c1-14(2)9-15(5-6-18-14)8-12(17)11-7-10(16)3-4-13(11)19-15/h3-4,7,12,17H,5-6,8-9H2,1-2H3
InChIKeyZNKLZVHCSXTOAU-UHFFFAOYSA-N
XLogP3.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-2',2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol with MolForge

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Related Compounds

6-bromospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol
CID 114715532
6-bromo-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715652
(4R)-6-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951521
(4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 104951385
6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715550
6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450779
(4S)-6-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951278
6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 114715617
(4S)-6-bromo-1'-cyclopropylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 104951108
(4S)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951256
(4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951482
6-bromo-2,2-di(propan-2-yl)-3,4-dihydrochromen-4-ol
CID 112743534

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2',2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol?
The IUPAC name of 6-bromo-2',2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol (CID 114715593) is 6-bromo-2',2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol.
What is the SMILES notation for 6-bromo-2',2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol?
The canonical SMILES for 6-bromo-2',2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol is CC1(C)CC2(CCO1)CC(O)c1cc(Br)ccc1O2.
What is the InChIKey of 6-bromo-2',2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol?
The InChIKey is ZNKLZVHCSXTOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO3/c1-14(2)9-15(5-6-18-14)8-12(17)11-7-10(16)3-4-13(11)19-15/h3-4,7,12,17H,5-6,8-9H2,1-2H3.
What are the key properties of 6-bromo-2',2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol?
6-bromo-2',2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol has a molecular weight of 327.22 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2',2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol is sourced from PubChem (CID 114715593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).