[(1S,1aS,7bS)-6-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]methanol

C11H11BrO2 — CID 58373629

IUPAC[(1S,1aS,7bS)-6-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]methanol
SMILESOC[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]12
InChIInChI=1S/C11H11BrO2/c12-6-1-2-10-7(3-6)11-8(4-13)9(11)5-14-10/h1-3,8-9,11,13H,4-5H2/t8-,9-,11+/m1/s1
InChIKeyGRDWACMCBFHMDD-KKZNHRDASA-N
MW255.11 g/mol
LogP2.16
Rot. Bonds1

About [(1S,1aS,7bS)-6-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]methanol

[(1S,1aS,7bS)-6-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]methanol (PubChem CID 58373629) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is [(1S,1aS,7bS)-6-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]methanol.

Molecular Properties

Compound Name[(1S,1aS,7bS)-6-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]methanol
PubChem CID58373629
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name[(1S,1aS,7bS)-6-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]methanol
SMILESOC[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]12
InChIInChI=1S/C11H11BrO2/c12-6-1-2-10-7(3-6)11-8(4-13)9(11)5-14-10/h1-3,8-9,11,13H,4-5H2/t8-,9-,11+/m1/s1
InChIKeyGRDWACMCBFHMDD-KKZNHRDASA-N
XLogP2.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,1aS,7bS)-6-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]methanol?
The IUPAC name of [(1S,1aS,7bS)-6-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]methanol (CID 58373629) is [(1S,1aS,7bS)-6-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]methanol.
What is the SMILES notation for [(1S,1aS,7bS)-6-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]methanol?
The canonical SMILES for [(1S,1aS,7bS)-6-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]methanol is OC[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]12.
What is the InChIKey of [(1S,1aS,7bS)-6-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]methanol?
The InChIKey is GRDWACMCBFHMDD-KKZNHRDASA-N. The full InChI is InChI=1S/C11H11BrO2/c12-6-1-2-10-7(3-6)11-8(4-13)9(11)5-14-10/h1-3,8-9,11,13H,4-5H2/t8-,9-,11+/m1/s1.
What are the key properties of [(1S,1aS,7bS)-6-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]methanol?
[(1S,1aS,7bS)-6-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]methanol has a molecular weight of 255.11 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,1aS,7bS)-6-bromo-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]methanol is sourced from PubChem (CID 58373629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).