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

C15H16O2 — CID 101274639

IUPAC(5R,6R)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESC[C@H]1C(=O)C2=C(CCCO2)[C@H]1c1ccccc1
InChIInChI=1S/C15H16O2/c1-10-13(11-6-3-2-4-7-11)12-8-5-9-17-15(12)14(10)16/h2-4,6-7,10,13H,5,8-9H2,1H3/t10-,13-/m1/s1
InChIKeyWCKMOGPQRWQOJQ-ZWNOBZJWSA-N
MW228.29 g/mol
LogP3.05
Rot. Bonds1

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

(5R,6R)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 101274639) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (5R,6R)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name(5R,6R)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID101274639
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(5R,6R)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESC[C@H]1C(=O)C2=C(CCCO2)[C@H]1c1ccccc1
InChIInChI=1S/C15H16O2/c1-10-13(11-6-3-2-4-7-11)12-8-5-9-17-15(12)14(10)16/h2-4,6-7,10,13H,5,8-9H2,1H3/t10-,13-/m1/s1
InChIKeyWCKMOGPQRWQOJQ-ZWNOBZJWSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dimethoxydalbergione
CID 115019
4-Methoxydalbergione
CID 99926
(R)-(+)-4-Methoxydalbergione
CID 442809
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
2,3-dimethyl-7-phenyl-7,8-dihydro-6H-chromene-4,5-dione
CID 2834771
2-butyl-3-methyl-7-phenyl-7,8-dihydro-4H-chromene-4,5(6H)-dione
CID 2834772
(S)-4-Methoxydalbergione
CID 10400054
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
2,5-dihydroxy-3-methoxy-6-[(1S,6S)-4-(4-methylpent-3-enyl)-6-phenylcyclohex-3-ene-1-carbonyl]cyclohexa-2,5-diene-1,4-dione
CID 139051454
2,5-dihydroxy-3-methoxy-6-[(1R,6R)-4-(4-methylpent-3-enyl)-6-phenylcyclohex-3-ene-1-carbonyl]cyclohexa-2,5-diene-1,4-dione
CID 139051455

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of (5R,6R)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 101274639) is (5R,6R)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for (5R,6R)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for (5R,6R)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is C[C@H]1C(=O)C2=C(CCCO2)[C@H]1c1ccccc1.
What is the InChIKey of (5R,6R)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is WCKMOGPQRWQOJQ-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H16O2/c1-10-13(11-6-3-2-4-7-11)12-8-5-9-17-15(12)14(10)16/h2-4,6-7,10,13H,5,8-9H2,1H3/t10-,13-/m1/s1.
What are the key properties of (5R,6R)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
(5R,6R)-6-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 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 101274639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).