(Z)-4-hydroxy-6-methoxy-7-(6-phenyl-2-pyridinyl)hept-3-en-2-one

C19H21NO3 — CID 59517934

IUPAC(Z)-4-hydroxy-6-methoxy-7-(6-phenyl-2-pyridinyl)hept-3-en-2-one
SMILESCOC(C/C(O)=C/C(C)=O)Cc1cccc(-c2ccccc2)n1
InChIInChI=1S/C19H21NO3/c1-14(21)11-17(22)13-18(23-2)12-16-9-6-10-19(20-16)15-7-4-3-5-8-15/h3-11,18,22H,12-13H2,1-2H3/b17-11-
InChIKeyORFJPWQAPIKNAB-BOPFTXTBSA-N
MW311.38 g/mol
LogP3.73
Rot. Bonds7

About (Z)-4-hydroxy-6-methoxy-7-(6-phenyl-2-pyridinyl)hept-3-en-2-one

(Z)-4-hydroxy-6-methoxy-7-(6-phenyl-2-pyridinyl)hept-3-en-2-one (PubChem CID 59517934) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (Z)-4-hydroxy-6-methoxy-7-(6-phenyl-2-pyridinyl)hept-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-hydroxy-6-methoxy-7-(6-phenyl-2-pyridinyl)hept-3-en-2-one
PubChem CID59517934
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(Z)-4-hydroxy-6-methoxy-7-(6-phenyl-2-pyridinyl)hept-3-en-2-one
SMILESCOC(C/C(O)=C/C(C)=O)Cc1cccc(-c2ccccc2)n1
InChIInChI=1S/C19H21NO3/c1-14(21)11-17(22)13-18(23-2)12-16-9-6-10-19(20-16)15-7-4-3-5-8-15/h3-11,18,22H,12-13H2,1-2H3/b17-11-
InChIKeyORFJPWQAPIKNAB-BOPFTXTBSA-N
XLogP3.73
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-hydroxy-6-methoxy-7-(6-phenyl-2-pyridinyl)hept-3-en-2-one;iridium
CID 59517933
(Z)-4-hydroxy-5-[(6-phenyl-2-pyridinyl)methylphosphanyl]pent-3-en-2-one;iridium
CID 59517894
2-(fluoromethyl)-6-phenylpyridine
CID 58240037
ditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane
CID 122232365
methyl 3-[6-(2-amino-3-hydroxypropyl)-2-pyridinyl]benzoate;hydrochloride
CID 170893443
CID 59517860
CID 59517860
(Z)-4-hydroxy-6-(6-naphthalen-2-yloxy-2-pyridinyl)hept-3-en-2-one
CID 58106868
[2-methyl-1-(6-phenyl-2-pyridinyl)propan-2-yl] piperazine-1-carboxylate
CID 69017224
2-hydroxy-4-oxopent-2-enoic acid;iridium;bis(2-phenylpyridine)
CID 170922925
[1-[[2-methyl-3-oxo-3-[(6-phenyl-2-pyridinyl)methylamino]propanoyl]amino]-2-phenylethyl]boronic acid
CID 174143777
[3-methyl-1-[[4-oxo-4-[(6-phenyl-2-pyridinyl)methylamino]but-2-enoyl]amino]butyl]boronic acid
CID 175483905
methyl 3-methyl-6-phenylpyridine-2-carboxylate
CID 118174962

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-6-methoxy-7-(6-phenyl-2-pyridinyl)hept-3-en-2-one?
The IUPAC name of (Z)-4-hydroxy-6-methoxy-7-(6-phenyl-2-pyridinyl)hept-3-en-2-one (CID 59517934) is (Z)-4-hydroxy-6-methoxy-7-(6-phenyl-2-pyridinyl)hept-3-en-2-one.
What is the SMILES notation for (Z)-4-hydroxy-6-methoxy-7-(6-phenyl-2-pyridinyl)hept-3-en-2-one?
The canonical SMILES for (Z)-4-hydroxy-6-methoxy-7-(6-phenyl-2-pyridinyl)hept-3-en-2-one is COC(C/C(O)=C/C(C)=O)Cc1cccc(-c2ccccc2)n1.
What is the InChIKey of (Z)-4-hydroxy-6-methoxy-7-(6-phenyl-2-pyridinyl)hept-3-en-2-one?
The InChIKey is ORFJPWQAPIKNAB-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(21)11-17(22)13-18(23-2)12-16-9-6-10-19(20-16)15-7-4-3-5-8-15/h3-11,18,22H,12-13H2,1-2H3/b17-11-.
What are the key properties of (Z)-4-hydroxy-6-methoxy-7-(6-phenyl-2-pyridinyl)hept-3-en-2-one?
(Z)-4-hydroxy-6-methoxy-7-(6-phenyl-2-pyridinyl)hept-3-en-2-one has a molecular weight of 311.38 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-6-methoxy-7-(6-phenyl-2-pyridinyl)hept-3-en-2-one is sourced from PubChem (CID 59517934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).