(R)-(5-bromofuran-2-yl)-[(1S)-cyclohexa-2,4-dien-1-yl]methanol

C11H11BrO2 — CID 134940127

IUPAC(R)-(5-bromofuran-2-yl)-[(1S)-cyclohexa-2,4-dien-1-yl]methanol
SMILESO[C@@H](c1ccc(Br)o1)[C@@H]1C=CC=CC1
InChIInChI=1S/C11H11BrO2/c12-10-7-6-9(14-10)11(13)8-4-2-1-3-5-8/h1-4,6-8,11,13H,5H2/t8-,11-/m1/s1
InChIKeyZOIXNHBUZHTZPZ-LDYMZIIASA-N
MW255.11 g/mol
LogP3.21
Rot. Bonds2

About (R)-(5-bromofuran-2-yl)-[(1S)-cyclohexa-2,4-dien-1-yl]methanol

(R)-(5-bromofuran-2-yl)-[(1S)-cyclohexa-2,4-dien-1-yl]methanol (PubChem CID 134940127) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is (R)-(5-bromofuran-2-yl)-[(1S)-cyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name(R)-(5-bromofuran-2-yl)-[(1S)-cyclohexa-2,4-dien-1-yl]methanol
PubChem CID134940127
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name(R)-(5-bromofuran-2-yl)-[(1S)-cyclohexa-2,4-dien-1-yl]methanol
SMILESO[C@@H](c1ccc(Br)o1)[C@@H]1C=CC=CC1
InChIInChI=1S/C11H11BrO2/c12-10-7-6-9(14-10)11(13)8-4-2-1-3-5-8/h1-4,6-8,11,13H,5H2/t8-,11-/m1/s1
InChIKeyZOIXNHBUZHTZPZ-LDYMZIIASA-N
XLogP3.21
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-(5-bromofuran-2-yl)-[(1S)-cyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of (R)-(5-bromofuran-2-yl)-[(1S)-cyclohexa-2,4-dien-1-yl]methanol (CID 134940127) is (R)-(5-bromofuran-2-yl)-[(1S)-cyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for (R)-(5-bromofuran-2-yl)-[(1S)-cyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for (R)-(5-bromofuran-2-yl)-[(1S)-cyclohexa-2,4-dien-1-yl]methanol is O[C@@H](c1ccc(Br)o1)[C@@H]1C=CC=CC1.
What is the InChIKey of (R)-(5-bromofuran-2-yl)-[(1S)-cyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is ZOIXNHBUZHTZPZ-LDYMZIIASA-N. The full InChI is InChI=1S/C11H11BrO2/c12-10-7-6-9(14-10)11(13)8-4-2-1-3-5-8/h1-4,6-8,11,13H,5H2/t8-,11-/m1/s1.
What are the key properties of (R)-(5-bromofuran-2-yl)-[(1S)-cyclohexa-2,4-dien-1-yl]methanol?
(R)-(5-bromofuran-2-yl)-[(1S)-cyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 255.11 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(5-bromofuran-2-yl)-[(1S)-cyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 134940127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).