1-(2,4-dihydroxy-5-prop-2-enoylphenyl)prop-2-en-1-one

C12H10O4 — CID 90141470

IUPAC1-(2,4-dihydroxy-5-prop-2-enoylphenyl)prop-2-en-1-one
SMILESC=CC(=O)c1cc(C(=O)C=C)c(O)cc1O
InChIInChI=1S/C12H10O4/c1-3-9(13)7-5-8(10(14)4-2)12(16)6-11(7)15/h3-6,15-16H,1-2H2
InChIKeyBQZHVOGKNZAQDQ-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.84
Rot. Bonds4

About 1-(2,4-dihydroxy-5-prop-2-enoylphenyl)prop-2-en-1-one

1-(2,4-dihydroxy-5-prop-2-enoylphenyl)prop-2-en-1-one (PubChem CID 90141470) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 1-(2,4-dihydroxy-5-prop-2-enoylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2,4-dihydroxy-5-prop-2-enoylphenyl)prop-2-en-1-one
PubChem CID90141470
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name1-(2,4-dihydroxy-5-prop-2-enoylphenyl)prop-2-en-1-one
SMILESC=CC(=O)c1cc(C(=O)C=C)c(O)cc1O
InChIInChI=1S/C12H10O4/c1-3-9(13)7-5-8(10(14)4-2)12(16)6-11(7)15/h3-6,15-16H,1-2H2
InChIKeyBQZHVOGKNZAQDQ-UHFFFAOYSA-N
XLogP1.84
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one
CID 154150476
3-prop-2-enoylnaphthalene-2-carboxylic acid
CID 152710041
(prop-2-enoylamino) 2-hydroxy-4-methylbenzoate
CID 174452261
1-(5-bromo-2-fluorophenyl)prop-2-en-1-one
CID 83643848
benzaldehyde;2-hydroxy-4-prop-2-enoylbenzoic acid
CID 175045349
1-(2-chloro-5-methoxyphenyl)prop-2-en-1-one
CID 130136741
1-(2-fluoro-4,5-dimethylphenyl)prop-2-en-1-one
CID 83957904
1-(2,5-dimethyl-1H-pyrrol-3-yl)prop-2-en-1-one
CID 83635361
ethenyl 4-amino-2-hydroxybenzoate
CID 21423592
1-(2-bromo-5-methoxyphenyl)prop-2-en-1-one
CID 105110975
1-(3,6-dimethylpyridazin-4-yl)prop-2-en-1-one
CID 105110928
1-(2-prop-2-enoyl-3-pyridinyl)prop-2-en-1-one
CID 139611910

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxy-5-prop-2-enoylphenyl)prop-2-en-1-one?
The IUPAC name of 1-(2,4-dihydroxy-5-prop-2-enoylphenyl)prop-2-en-1-one (CID 90141470) is 1-(2,4-dihydroxy-5-prop-2-enoylphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(2,4-dihydroxy-5-prop-2-enoylphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(2,4-dihydroxy-5-prop-2-enoylphenyl)prop-2-en-1-one is C=CC(=O)c1cc(C(=O)C=C)c(O)cc1O.
What is the InChIKey of 1-(2,4-dihydroxy-5-prop-2-enoylphenyl)prop-2-en-1-one?
The InChIKey is BQZHVOGKNZAQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-3-9(13)7-5-8(10(14)4-2)12(16)6-11(7)15/h3-6,15-16H,1-2H2.
What are the key properties of 1-(2,4-dihydroxy-5-prop-2-enoylphenyl)prop-2-en-1-one?
1-(2,4-dihydroxy-5-prop-2-enoylphenyl)prop-2-en-1-one has a molecular weight of 218.21 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxy-5-prop-2-enoylphenyl)prop-2-en-1-one is sourced from PubChem (CID 90141470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).