6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

C17H23BrO2 — CID 107450779

IUPAC6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCC(C)C1CCCC2(CC(O)c3cc(Br)ccc3O2)C1
InChIInChI=1S/C17H23BrO2/c1-11(2)12-4-3-7-17(9-12)10-15(19)14-8-13(18)5-6-16(14)20-17/h5-6,8,11-12,15,19H,3-4,7,9-10H2,1-2H3
InChIKeyKCISJDGPBDQODT-UHFFFAOYSA-N
MW339.27 g/mol
LogP4.85
Rot. Bonds1

About 6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol

6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (PubChem CID 107450779) has the molecular formula C17H23BrO2 and a molecular weight of 339.27 g/mol. Its IUPAC name is 6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.

Molecular Properties

Compound Name6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
PubChem CID107450779
Molecular FormulaC17H23BrO2
Molecular Weight339.27 g/mol
Exact Mass338.09
IUPAC Name6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
SMILESCC(C)C1CCCC2(CC(O)c3cc(Br)ccc3O2)C1
InChIInChI=1S/C17H23BrO2/c1-11(2)12-4-3-7-17(9-12)10-15(19)14-8-13(18)5-6-16(14)20-17/h5-6,8,11-12,15,19H,3-4,7,9-10H2,1-2H3
InChIKeyKCISJDGPBDQODT-UHFFFAOYSA-N
XLogP4.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The IUPAC name of 6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol (CID 107450779) is 6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol.
What is the SMILES notation for 6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The canonical SMILES for 6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is CC(C)C1CCCC2(CC(O)c3cc(Br)ccc3O2)C1.
What is the InChIKey of 6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
The InChIKey is KCISJDGPBDQODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrO2/c1-11(2)12-4-3-7-17(9-12)10-15(19)14-8-13(18)5-6-16(14)20-17/h5-6,8,11-12,15,19H,3-4,7,9-10H2,1-2H3.
What are the key properties of 6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol?
6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol has a molecular weight of 339.27 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol is sourced from PubChem (CID 107450779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).