methyl 2-hydroxy-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]benzoate

C19H18O4 — CID 15532242

IUPACmethyl 2-hydroxy-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]benzoate
SMILESCOC(=O)c1cc(OC/C=C/C=C/c2ccccc2)ccc1O
InChIInChI=1S/C19H18O4/c1-22-19(21)17-14-16(11-12-18(17)20)23-13-7-3-6-10-15-8-4-2-5-9-15/h2-12,14,20H,13H2,1H3/b7-3+,10-6+
InChIKeyZHGFJAXUKMOIIH-ASVGJQBISA-N
MW310.35 g/mol
LogP3.83
Rot. Bonds6

About methyl 2-hydroxy-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]benzoate

methyl 2-hydroxy-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]benzoate (PubChem CID 15532242) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl 2-hydroxy-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]benzoate
PubChem CID15532242
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Namemethyl 2-hydroxy-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]benzoate
SMILESCOC(=O)c1cc(OC/C=C/C=C/c2ccccc2)ccc1O
InChIInChI=1S/C19H18O4/c1-22-19(21)17-14-16(11-12-18(17)20)23-13-7-3-6-10-15-8-4-2-5-9-15/h2-12,14,20H,13H2,1H3/b7-3+,10-6+
InChIKeyZHGFJAXUKMOIIH-ASVGJQBISA-N
XLogP3.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-hydroxy-3-(5-phenylpenta-2,4-dienoyl)benzoate
CID 88788727
dimethyl 4-(2-oxoethoxy)benzene-1,2-dicarboxylate
CID 54350444
methyl 2-hydroxy-5-prop-2-ynoxybenzoate
CID 10081702
methyl 2-(3-phenoxyprop-1-enyl)benzoate
CID 67414986
methyl 5-decoxy-2-hydroxybenzoate
CID 54520476
5-[(E)-4-(benzenesulfonyl)but-2-enoxy]-2-hydroxybenzoic acid
CID 67790087
dimethyl 4-(3-methylbut-2-enoxy)benzene-1,2-dicarboxylate
CID 69421609
2-hydroxy-4-(2-methoxyethoxy)-N-(2-phenylethenyl)benzamide
CID 174690437
methyl 4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]benzoate
CID 11565405
methyl 5-(3-formylphenyl)-2-hydroxybenzoate
CID 5105759
ethane;(E)-1-[2-hydroxy-4-(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one
CID 163381454
methyl 4-hydroxy-3-[(E)-3-oxo-5-phenylpent-4-enoyl]benzoate
CID 12533659

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]benzoate?
The IUPAC name of methyl 2-hydroxy-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]benzoate (CID 15532242) is methyl 2-hydroxy-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]benzoate.
What is the SMILES notation for methyl 2-hydroxy-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]benzoate?
The canonical SMILES for methyl 2-hydroxy-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]benzoate is COC(=O)c1cc(OC/C=C/C=C/c2ccccc2)ccc1O.
What is the InChIKey of methyl 2-hydroxy-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]benzoate?
The InChIKey is ZHGFJAXUKMOIIH-ASVGJQBISA-N. The full InChI is InChI=1S/C19H18O4/c1-22-19(21)17-14-16(11-12-18(17)20)23-13-7-3-6-10-15-8-4-2-5-9-15/h2-12,14,20H,13H2,1H3/b7-3+,10-6+.
What are the key properties of methyl 2-hydroxy-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]benzoate?
methyl 2-hydroxy-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]benzoate has a molecular weight of 310.35 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]benzoate is sourced from PubChem (CID 15532242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).