(5R)-5-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one

C19H19NO3 — CID 42628086

IUPAC(5R)-5-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one
SMILESCOc1ccc([C@H]2CC(=O)C=C(c3ccc(OC)nc3)C2)cc1
InChIInChI=1S/C19H19NO3/c1-22-18-6-3-13(4-7-18)15-9-16(11-17(21)10-15)14-5-8-19(23-2)20-12-14/h3-8,11-12,15H,9-10H2,1-2H3/t15-/m1/s1
InChIKeyXWZJPQQGEMNIIT-OAHLLOKOSA-N
MW309.37 g/mol
LogP3.63
Rot. Bonds4

About (5R)-5-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one

(5R)-5-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one (PubChem CID 42628086) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (5R)-5-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-5-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one
PubChem CID42628086
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(5R)-5-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one
SMILESCOc1ccc([C@H]2CC(=O)C=C(c3ccc(OC)nc3)C2)cc1
InChIInChI=1S/C19H19NO3/c1-22-18-6-3-13(4-7-18)15-9-16(11-17(21)10-15)14-5-8-19(23-2)20-12-14/h3-8,11-12,15H,9-10H2,1-2H3/t15-/m1/s1
InChIKeyXWZJPQQGEMNIIT-OAHLLOKOSA-N
XLogP3.63
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one?
The IUPAC name of (5R)-5-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one (CID 42628086) is (5R)-5-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one.
What is the SMILES notation for (5R)-5-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one?
The canonical SMILES for (5R)-5-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one is COc1ccc([C@H]2CC(=O)C=C(c3ccc(OC)nc3)C2)cc1.
What is the InChIKey of (5R)-5-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one?
The InChIKey is XWZJPQQGEMNIIT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19NO3/c1-22-18-6-3-13(4-7-18)15-9-16(11-17(21)10-15)14-5-8-19(23-2)20-12-14/h3-8,11-12,15H,9-10H2,1-2H3/t15-/m1/s1.
What are the key properties of (5R)-5-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one?
(5R)-5-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one has a molecular weight of 309.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-one is sourced from PubChem (CID 42628086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).