(2S)-4-benzyl-2-methyl-2H-furan-5-one

C12H12O2 — CID 10773959

IUPAC(2S)-4-benzyl-2-methyl-2H-furan-5-one
SMILESC[C@H]1C=C(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C12H12O2/c1-9-7-11(12(13)14-9)8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3/t9-/m0/s1
InChIKeyMMMCBCMVIIUYJY-VIFPVBQESA-N
MW188.23 g/mol
LogP2.10
Rot. Bonds2

About (2S)-4-benzyl-2-methyl-2H-furan-5-one

(2S)-4-benzyl-2-methyl-2H-furan-5-one (PubChem CID 10773959) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2S)-4-benzyl-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-4-benzyl-2-methyl-2H-furan-5-one
PubChem CID10773959
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name(2S)-4-benzyl-2-methyl-2H-furan-5-one
SMILESC[C@H]1C=C(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C12H12O2/c1-9-7-11(12(13)14-9)8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3/t9-/m0/s1
InChIKeyMMMCBCMVIIUYJY-VIFPVBQESA-N
XLogP2.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-2-methyl-2H-furan-5-one?
The IUPAC name of (2S)-4-benzyl-2-methyl-2H-furan-5-one (CID 10773959) is (2S)-4-benzyl-2-methyl-2H-furan-5-one.
What is the SMILES notation for (2S)-4-benzyl-2-methyl-2H-furan-5-one?
The canonical SMILES for (2S)-4-benzyl-2-methyl-2H-furan-5-one is C[C@H]1C=C(Cc2ccccc2)C(=O)O1.
What is the InChIKey of (2S)-4-benzyl-2-methyl-2H-furan-5-one?
The InChIKey is MMMCBCMVIIUYJY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12O2/c1-9-7-11(12(13)14-9)8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-4-benzyl-2-methyl-2H-furan-5-one?
(2S)-4-benzyl-2-methyl-2H-furan-5-one has a molecular weight of 188.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-2-methyl-2H-furan-5-one is sourced from PubChem (CID 10773959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).