methyl 4-hydroxy-3-(5-phenylpenta-2,4-dienoyl)benzoate

C19H16O4 — CID 88788727

IUPACmethyl 4-hydroxy-3-(5-phenylpenta-2,4-dienoyl)benzoate
SMILESCOC(=O)c1ccc(O)c(C(=O)C=CC=Cc2ccccc2)c1
InChIInChI=1S/C19H16O4/c1-23-19(22)15-11-12-18(21)16(13-15)17(20)10-6-5-9-14-7-3-2-4-8-14/h2-13,21H,1H3
InChIKeyRKHUJJSWLDAAKM-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.63
Rot. Bonds5

About methyl 4-hydroxy-3-(5-phenylpenta-2,4-dienoyl)benzoate

methyl 4-hydroxy-3-(5-phenylpenta-2,4-dienoyl)benzoate (PubChem CID 88788727) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is methyl 4-hydroxy-3-(5-phenylpenta-2,4-dienoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-3-(5-phenylpenta-2,4-dienoyl)benzoate
PubChem CID88788727
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Namemethyl 4-hydroxy-3-(5-phenylpenta-2,4-dienoyl)benzoate
SMILESCOC(=O)c1ccc(O)c(C(=O)C=CC=Cc2ccccc2)c1
InChIInChI=1S/C19H16O4/c1-23-19(22)15-11-12-18(21)16(13-15)17(20)10-6-5-9-14-7-3-2-4-8-14/h2-13,21H,1H3
InChIKeyRKHUJJSWLDAAKM-UHFFFAOYSA-N
XLogP3.63
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]benzoate
CID 11565405
methyl 4-hydroxy-3-[(E)-3-oxo-5-phenylpent-4-enoyl]benzoate
CID 12533659
[(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium
CID 169143867
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
methyl 2-hydroxy-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]benzoate
CID 15532242
3-[4-hydroxy-3-(3-phenylprop-2-enoyl)phenyl]prop-2-enoic acid
CID 54370841
methyl 2-[(E)-3-phenylprop-2-enoyl]benzoate
CID 10333131
(2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 92526505
(2Z,4E)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 54612350
methyl 3-[(E)-3-(2-hydroxy-4,5-dimethoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 166154993
(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
CID 51568438
(2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one
CID 171377751

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-3-(5-phenylpenta-2,4-dienoyl)benzoate?
The IUPAC name of methyl 4-hydroxy-3-(5-phenylpenta-2,4-dienoyl)benzoate (CID 88788727) is methyl 4-hydroxy-3-(5-phenylpenta-2,4-dienoyl)benzoate.
What is the SMILES notation for methyl 4-hydroxy-3-(5-phenylpenta-2,4-dienoyl)benzoate?
The canonical SMILES for methyl 4-hydroxy-3-(5-phenylpenta-2,4-dienoyl)benzoate is COC(=O)c1ccc(O)c(C(=O)C=CC=Cc2ccccc2)c1.
What is the InChIKey of methyl 4-hydroxy-3-(5-phenylpenta-2,4-dienoyl)benzoate?
The InChIKey is RKHUJJSWLDAAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-23-19(22)15-11-12-18(21)16(13-15)17(20)10-6-5-9-14-7-3-2-4-8-14/h2-13,21H,1H3.
What are the key properties of methyl 4-hydroxy-3-(5-phenylpenta-2,4-dienoyl)benzoate?
methyl 4-hydroxy-3-(5-phenylpenta-2,4-dienoyl)benzoate has a molecular weight of 308.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-3-(5-phenylpenta-2,4-dienoyl)benzoate is sourced from PubChem (CID 88788727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).