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

C17H20O5 — CID 135055096

IUPAC(5R)-5-(2,4,6-trimethoxyphenyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCOc1cc(OC)c([C@@H]2CC(=O)C3=C2CCCO3)c(OC)c1
InChIInChI=1S/C17H20O5/c1-19-10-7-14(20-2)16(15(8-10)21-3)12-9-13(18)17-11(12)5-4-6-22-17/h7-8,12H,4-6,9H2,1-3H3/t12-/m1/s1
InChIKeyKOIDTINSMFPAAB-GFCCVEGCSA-N
MW304.34 g/mol
LogP2.83
Rot. Bonds4

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

(5R)-5-(2,4,6-trimethoxyphenyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 135055096) has the molecular formula C17H20O5 and a molecular weight of 304.34 g/mol. Its IUPAC name is (5R)-5-(2,4,6-trimethoxyphenyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name(5R)-5-(2,4,6-trimethoxyphenyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID135055096
Molecular FormulaC17H20O5
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Name(5R)-5-(2,4,6-trimethoxyphenyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCOc1cc(OC)c([C@@H]2CC(=O)C3=C2CCCO3)c(OC)c1
InChIInChI=1S/C17H20O5/c1-19-10-7-14(20-2)16(15(8-10)21-3)12-9-13(18)17-11(12)5-4-6-22-17/h7-8,12H,4-6,9H2,1-3H3/t12-/m1/s1
InChIKeyKOIDTINSMFPAAB-GFCCVEGCSA-N
XLogP2.83
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2,4,6-trimethoxyphenyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of (5R)-5-(2,4,6-trimethoxyphenyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 135055096) is (5R)-5-(2,4,6-trimethoxyphenyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for (5R)-5-(2,4,6-trimethoxyphenyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for (5R)-5-(2,4,6-trimethoxyphenyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is COc1cc(OC)c([C@@H]2CC(=O)C3=C2CCCO3)c(OC)c1.
What is the InChIKey of (5R)-5-(2,4,6-trimethoxyphenyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is KOIDTINSMFPAAB-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20O5/c1-19-10-7-14(20-2)16(15(8-10)21-3)12-9-13(18)17-11(12)5-4-6-22-17/h7-8,12H,4-6,9H2,1-3H3/t12-/m1/s1.
What are the key properties of (5R)-5-(2,4,6-trimethoxyphenyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
(5R)-5-(2,4,6-trimethoxyphenyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 304.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2,4,6-trimethoxyphenyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 135055096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).