(2R,5R)-2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

C15H16O2 — CID 16733560

IUPAC(2R,5R)-2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESC[C@@H]1CCC2=C(O1)C(=O)C[C@@H]2c1ccccc1
InChIInChI=1S/C15H16O2/c1-10-7-8-12-13(9-14(16)15(12)17-10)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3/t10-,13-/m1/s1
InChIKeyRPLNDFRYXJQNOY-ZWNOBZJWSA-N
MW228.29 g/mol
LogP3.20
Rot. Bonds1

About (2R,5R)-2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

(2R,5R)-2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 16733560) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R,5R)-2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name(2R,5R)-2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID16733560
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(2R,5R)-2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESC[C@@H]1CCC2=C(O1)C(=O)C[C@@H]2c1ccccc1
InChIInChI=1S/C15H16O2/c1-10-7-8-12-13(9-14(16)15(12)17-10)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3/t10-,13-/m1/s1
InChIKeyRPLNDFRYXJQNOY-ZWNOBZJWSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dimethoxydalbergione
CID 115019
2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-(1-phenyl-2-propenyl)-
CID 189985
2-Methoxy-6-benzyl-1,4-benzoquinone
CID 11775935
5-(4,5-Dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-5-phenylpentanoic acid
CID 14235025
Benzenebutanoic acid, gamma-(4,5-dimethoxy-3,6-dioxo-2-methyl-1,4-cyclohexadien-1-yl)-
CID 21290548
3-(1-Oxo-1-phenylpropan-2-yl)oxycyclohex-2-en-1-one
CID 2831734
Fusarilin C
CID 168294970
Fusarilin D
CID 168295026
7-(4,5-Dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-7-phenylheptanoic acid
CID 44311014
2,3-Dimethoxy-5-methyl-6-phenylcyclohexa-2,5-diene-1,4-dione
CID 44392463
5-Benzyl-3-methoxy-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 122183880
2-Methoxy-4-phenylcyclohexan-1-one
CID 19030151

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of (2R,5R)-2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 16733560) is (2R,5R)-2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for (2R,5R)-2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for (2R,5R)-2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is C[C@@H]1CCC2=C(O1)C(=O)C[C@@H]2c1ccccc1.
What is the InChIKey of (2R,5R)-2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is RPLNDFRYXJQNOY-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H16O2/c1-10-7-8-12-13(9-14(16)15(12)17-10)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3/t10-,13-/m1/s1.
What are the key properties of (2R,5R)-2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
(2R,5R)-2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 228.29 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 16733560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).