1-hydroxy-5-methoxy-1-phenylpent-1-en-3-one

C12H14O3 — CID 70862300

IUPAC1-hydroxy-5-methoxy-1-phenylpent-1-en-3-one
SMILESCOCCC(=O)C=C(O)c1ccccc1
InChIInChI=1S/C12H14O3/c1-15-8-7-11(13)9-12(14)10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3
InChIKeyCRMPIPQVRGIOFB-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.19
Rot. Bonds5

About 1-hydroxy-5-methoxy-1-phenylpent-1-en-3-one

1-hydroxy-5-methoxy-1-phenylpent-1-en-3-one (PubChem CID 70862300) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-hydroxy-5-methoxy-1-phenylpent-1-en-3-one.

Molecular Properties

Compound Name1-hydroxy-5-methoxy-1-phenylpent-1-en-3-one
PubChem CID70862300
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name1-hydroxy-5-methoxy-1-phenylpent-1-en-3-one
SMILESCOCCC(=O)C=C(O)c1ccccc1
InChIInChI=1S/C12H14O3/c1-15-8-7-11(13)9-12(14)10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3
InChIKeyCRMPIPQVRGIOFB-UHFFFAOYSA-N
XLogP2.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.19
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-methoxy-1-phenylpropan-1-one
CID 10942788
(Z)-1-hydroxy-5-methyl-1-phenylhex-1-en-3-one
CID 5377692
(Z)-5-(2-bromophenyl)-1-hydroxy-1-phenylpent-1-en-3-one
CID 137456973
4-methoxy-1-phenylbutan-1-one;hydrochloride
CID 172691483
1,2-dimethoxyethane;tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);terbium(3+)
CID 139143577
azane;2-methoxyethyl benzoate
CID 174560204
2-benzylidene-4-methoxybutanoic acid
CID 150039493
ethyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate
CID 3863165
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
CID 5369713
3-methoxy-1-(4-phenoxyphenyl)propan-1-one
CID 82051058
1-methoxy-5-phenoxypentan-3-one
CID 114998471
N'-[4-(2-methoxyethoxy)butanoyl]benzohydrazide
CID 47365652

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-methoxy-1-phenylpent-1-en-3-one?
The IUPAC name of 1-hydroxy-5-methoxy-1-phenylpent-1-en-3-one (CID 70862300) is 1-hydroxy-5-methoxy-1-phenylpent-1-en-3-one.
What is the SMILES notation for 1-hydroxy-5-methoxy-1-phenylpent-1-en-3-one?
The canonical SMILES for 1-hydroxy-5-methoxy-1-phenylpent-1-en-3-one is COCCC(=O)C=C(O)c1ccccc1.
What is the InChIKey of 1-hydroxy-5-methoxy-1-phenylpent-1-en-3-one?
The InChIKey is CRMPIPQVRGIOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-15-8-7-11(13)9-12(14)10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3.
What are the key properties of 1-hydroxy-5-methoxy-1-phenylpent-1-en-3-one?
1-hydroxy-5-methoxy-1-phenylpent-1-en-3-one has a molecular weight of 206.24 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-methoxy-1-phenylpent-1-en-3-one is sourced from PubChem (CID 70862300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).