(4R,5R)-5-methyl-4-phenyloxan-2-one

C12H14O2 — CID 10607707

IUPAC(4R,5R)-5-methyl-4-phenyloxan-2-one
SMILESC[C@H]1COC(=O)C[C@H]1c1ccccc1
InChIInChI=1S/C12H14O2/c1-9-8-14-12(13)7-11(9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11+/m0/s1
InChIKeyOPPRBNGMJKZJFX-GXSJLCMTSA-N
MW190.24 g/mol
LogP2.35
Rot. Bonds1

About (4R,5R)-5-methyl-4-phenyloxan-2-one

(4R,5R)-5-methyl-4-phenyloxan-2-one (PubChem CID 10607707) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (4R,5R)-5-methyl-4-phenyloxan-2-one.

Molecular Properties

Compound Name(4R,5R)-5-methyl-4-phenyloxan-2-one
PubChem CID10607707
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(4R,5R)-5-methyl-4-phenyloxan-2-one
SMILESC[C@H]1COC(=O)C[C@H]1c1ccccc1
InChIInChI=1S/C12H14O2/c1-9-8-14-12(13)7-11(9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11+/m0/s1
InChIKeyOPPRBNGMJKZJFX-GXSJLCMTSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,3S)-2,3-dimethylcyclobutyl]benzene
CID 142373098
4-(4-methylphenyl)-5-phenyloxolan-2-one
CID 144706058
(4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one
CID 15448194
3-amino-7-phenyl-1,5-dioxonane-6,9-dione
CID 18681838
(3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 11252672
ethane;4-phenylmethoxyoxolan-2-one
CID 143867154
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one
CID 25179342
4-phenyl-5-(trifluoromethyl)oxolan-2-one
CID 144706053
5-(bromomethyl)-4-phenyloxolan-2-one
CID 59051964
(5S)-5-phenyl-1,4-dioxan-2-one
CID 101083967
(4R)-4-methyloxolan-2-one
CID 5325910

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-methyl-4-phenyloxan-2-one?
The IUPAC name of (4R,5R)-5-methyl-4-phenyloxan-2-one (CID 10607707) is (4R,5R)-5-methyl-4-phenyloxan-2-one.
What is the SMILES notation for (4R,5R)-5-methyl-4-phenyloxan-2-one?
The canonical SMILES for (4R,5R)-5-methyl-4-phenyloxan-2-one is C[C@H]1COC(=O)C[C@H]1c1ccccc1.
What is the InChIKey of (4R,5R)-5-methyl-4-phenyloxan-2-one?
The InChIKey is OPPRBNGMJKZJFX-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H14O2/c1-9-8-14-12(13)7-11(9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11+/m0/s1.
What are the key properties of (4R,5R)-5-methyl-4-phenyloxan-2-one?
(4R,5R)-5-methyl-4-phenyloxan-2-one has a molecular weight of 190.24 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-methyl-4-phenyloxan-2-one is sourced from PubChem (CID 10607707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).