(2S)-2-[(R)-furan-2-yl(hydroxy)methyl]cyclohexan-1-one

C11H14O3 — CID 11735694

IUPAC(2S)-2-[(R)-furan-2-yl(hydroxy)methyl]cyclohexan-1-one
SMILESO=C1CCCC[C@H]1[C@@H](O)c1ccco1
InChIInChI=1S/C11H14O3/c12-9-5-2-1-4-8(9)11(13)10-6-3-7-14-10/h3,6-8,11,13H,1-2,4-5H2/t8-,11-/m1/s1
InChIKeyKCWNWTJIORDVNX-LDYMZIIASA-N
MW194.23 g/mol
LogP2.07
Rot. Bonds2

About (2S)-2-[(R)-furan-2-yl(hydroxy)methyl]cyclohexan-1-one

(2S)-2-[(R)-furan-2-yl(hydroxy)methyl]cyclohexan-1-one (PubChem CID 11735694) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2S)-2-[(R)-furan-2-yl(hydroxy)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-[(R)-furan-2-yl(hydroxy)methyl]cyclohexan-1-one
PubChem CID11735694
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2S)-2-[(R)-furan-2-yl(hydroxy)methyl]cyclohexan-1-one
SMILESO=C1CCCC[C@H]1[C@@H](O)c1ccco1
InChIInChI=1S/C11H14O3/c12-9-5-2-1-4-8(9)11(13)10-6-3-7-14-10/h3,6-8,11,13H,1-2,4-5H2/t8-,11-/m1/s1
InChIKeyKCWNWTJIORDVNX-LDYMZIIASA-N
XLogP2.07
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(R)-furan-2-yl(hydroxy)methyl]cyclohexan-1-one?
The IUPAC name of (2S)-2-[(R)-furan-2-yl(hydroxy)methyl]cyclohexan-1-one (CID 11735694) is (2S)-2-[(R)-furan-2-yl(hydroxy)methyl]cyclohexan-1-one.
What is the SMILES notation for (2S)-2-[(R)-furan-2-yl(hydroxy)methyl]cyclohexan-1-one?
The canonical SMILES for (2S)-2-[(R)-furan-2-yl(hydroxy)methyl]cyclohexan-1-one is O=C1CCCC[C@H]1[C@@H](O)c1ccco1.
What is the InChIKey of (2S)-2-[(R)-furan-2-yl(hydroxy)methyl]cyclohexan-1-one?
The InChIKey is KCWNWTJIORDVNX-LDYMZIIASA-N. The full InChI is InChI=1S/C11H14O3/c12-9-5-2-1-4-8(9)11(13)10-6-3-7-14-10/h3,6-8,11,13H,1-2,4-5H2/t8-,11-/m1/s1.
What are the key properties of (2S)-2-[(R)-furan-2-yl(hydroxy)methyl]cyclohexan-1-one?
(2S)-2-[(R)-furan-2-yl(hydroxy)methyl]cyclohexan-1-one has a molecular weight of 194.23 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(R)-furan-2-yl(hydroxy)methyl]cyclohexan-1-one is sourced from PubChem (CID 11735694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).