(Z)-3-hydroxy-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylprop-2-en-1-one

C17H17NO2 — CID 98470060

IUPAC(Z)-3-hydroxy-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylprop-2-en-1-one
SMILESCC(C)c1ccc(C(=O)/C=C(\O)c2cccnc2)cc1
InChIInChI=1S/C17H17NO2/c1-12(2)13-5-7-14(8-6-13)16(19)10-17(20)15-4-3-9-18-11-15/h3-12,20H,1-2H3/b17-10-
InChIKeyVZICCTIXPZBNSP-YVLHZVERSA-N
MW267.33 g/mol
LogP3.99
Rot. Bonds4

About (Z)-3-hydroxy-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylprop-2-en-1-one

(Z)-3-hydroxy-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylprop-2-en-1-one (PubChem CID 98470060) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (Z)-3-hydroxy-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-hydroxy-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylprop-2-en-1-one
PubChem CID98470060
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(Z)-3-hydroxy-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylprop-2-en-1-one
SMILESCC(C)c1ccc(C(=O)/C=C(\O)c2cccnc2)cc1
InChIInChI=1S/C17H17NO2/c1-12(2)13-5-7-14(8-6-13)16(19)10-17(20)15-4-3-9-18-11-15/h3-12,20H,1-2H3/b17-10-
InChIKeyVZICCTIXPZBNSP-YVLHZVERSA-N
XLogP3.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 3102941
3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one
CID 139178157
4-hydroxy-2-oxo-4-pyridin-3-ylbut-3-enoic acid
CID 74709093
1,1,1-trifluoro-4-hydroxy-4-pyridin-3-ylbut-3-en-2-one
CID 781038
1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione
CID 4267792
(Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one
CID 45272531
benzene;pyridine-3-carboxamide
CID 66766032
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride
CID 119526338
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
CID 5369713
[(1R)-1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate
CID 76958497
[[amino(pyridin-3-yl)methylidene]amino] 2-(4-propan-2-ylphenoxy)acetate
CID 2915752
N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]pyridine-3-carboxamide
CID 5060997

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of (Z)-3-hydroxy-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylprop-2-en-1-one (CID 98470060) is (Z)-3-hydroxy-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-hydroxy-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for (Z)-3-hydroxy-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylprop-2-en-1-one is CC(C)c1ccc(C(=O)/C=C(\O)c2cccnc2)cc1.
What is the InChIKey of (Z)-3-hydroxy-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylprop-2-en-1-one?
The InChIKey is VZICCTIXPZBNSP-YVLHZVERSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12(2)13-5-7-14(8-6-13)16(19)10-17(20)15-4-3-9-18-11-15/h3-12,20H,1-2H3/b17-10-.
What are the key properties of (Z)-3-hydroxy-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylprop-2-en-1-one?
(Z)-3-hydroxy-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylprop-2-en-1-one has a molecular weight of 267.33 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 98470060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).