(4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol

C16H21BrO3 — CID 104949352

IUPAC(4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
SMILESCC(C)C1CC2(CCO1)C[C@@H](O)c1ccc(Br)cc1O2
InChIInChI=1S/C16H21BrO3/c1-10(2)15-9-16(5-6-19-15)8-13(18)12-4-3-11(17)7-14(12)20-16/h3-4,7,10,13,15,18H,5-6,8-9H2,1-2H3/t13-,15?,16?/m1/s1
InChIKeyFBZZPMYHQKPPKA-IUDNXUCKSA-N
MW341.25 g/mol
LogP3.84
Rot. Bonds1

About (4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol

(4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol (PubChem CID 104949352) has the molecular formula C16H21BrO3 and a molecular weight of 341.25 g/mol. Its IUPAC name is (4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol.

Molecular Properties

Compound Name(4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
PubChem CID104949352
Molecular FormulaC16H21BrO3
Molecular Weight341.25 g/mol
Exact Mass340.07
IUPAC Name(4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
SMILESCC(C)C1CC2(CCO1)C[C@@H](O)c1ccc(Br)cc1O2
InChIInChI=1S/C16H21BrO3/c1-10(2)15-9-16(5-6-19-15)8-13(18)12-4-3-11(17)7-14(12)20-16/h3-4,7,10,13,15,18H,5-6,8-9H2,1-2H3/t13-,15?,16?/m1/s1
InChIKeyFBZZPMYHQKPPKA-IUDNXUCKSA-N
XLogP3.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 104945729
2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 114714890
(4S)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949601
(4S)-7-bromo-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949647
7-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 114714735
7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 114714662
(4S)-7-bromo-2,2-diethyl-3,4-dihydrochromen-4-ol
CID 104949560
(4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
CID 104949633
(4R)-7-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949332
6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450779
7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714791
(4S)-7-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-ol
CID 104949578

Frequently Asked Questions

What is the IUPAC name of (4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol?
The IUPAC name of (4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol (CID 104949352) is (4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol.
What is the SMILES notation for (4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol?
The canonical SMILES for (4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol is CC(C)C1CC2(CCO1)C[C@@H](O)c1ccc(Br)cc1O2.
What is the InChIKey of (4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol?
The InChIKey is FBZZPMYHQKPPKA-IUDNXUCKSA-N. The full InChI is InChI=1S/C16H21BrO3/c1-10(2)15-9-16(5-6-19-15)8-13(18)12-4-3-11(17)7-14(12)20-16/h3-4,7,10,13,15,18H,5-6,8-9H2,1-2H3/t13-,15?,16?/m1/s1.
What are the key properties of (4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol?
(4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol has a molecular weight of 341.25 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol is sourced from PubChem (CID 104949352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).