2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-hydroxybenzoate

C19H16O6 — CID 71770896

IUPAC2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-hydroxybenzoate
SMILESO=C1OCC(OCCOC(=O)c2ccc(O)cc2)=C1c1ccccc1
InChIInChI=1S/C19H16O6/c20-15-8-6-14(7-9-15)18(21)24-11-10-23-16-12-25-19(22)17(16)13-4-2-1-3-5-13/h1-9,20H,10-12H2
InChIKeyUNRJNFFBNJCYOW-UHFFFAOYSA-N
MW340.33 g/mol
LogP2.53
Rot. Bonds6

About 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-hydroxybenzoate

2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-hydroxybenzoate (PubChem CID 71770896) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-hydroxybenzoate.

Molecular Properties

Compound Name2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-hydroxybenzoate
PubChem CID71770896
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Name2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-hydroxybenzoate
SMILESO=C1OCC(OCCOC(=O)c2ccc(O)cc2)=C1c1ccccc1
InChIInChI=1S/C19H16O6/c20-15-8-6-14(7-9-15)18(21)24-11-10-23-16-12-25-19(22)17(16)13-4-2-1-3-5-13/h1-9,20H,10-12H2
InChIKeyUNRJNFFBNJCYOW-UHFFFAOYSA-N
XLogP2.53
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethyl 4-hydroxybenzoate
CID 11977778
4-phenylphenol;propyl 4-hydroxybenzoate
CID 174901062
3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-phenyl-2H-furan-5-one
CID 56680191
benzene-1,2-diol;propyl 4-hydroxybenzoate
CID 70157897
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate
CID 19881496
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate
CID 3896266
2-benzoyloxyethyl benzoate;ethene
CID 67969171
propyl 4-hydroxybenzoate
CID 66683808
ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate
CID 162013248
2-trimethylsilylethyl 4-hydroxybenzoate
CID 10847549

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-hydroxybenzoate?
The IUPAC name of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-hydroxybenzoate (CID 71770896) is 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-hydroxybenzoate.
What is the SMILES notation for 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-hydroxybenzoate?
The canonical SMILES for 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-hydroxybenzoate is O=C1OCC(OCCOC(=O)c2ccc(O)cc2)=C1c1ccccc1.
What is the InChIKey of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-hydroxybenzoate?
The InChIKey is UNRJNFFBNJCYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O6/c20-15-8-6-14(7-9-15)18(21)24-11-10-23-16-12-25-19(22)17(16)13-4-2-1-3-5-13/h1-9,20H,10-12H2.
What are the key properties of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-hydroxybenzoate?
2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-hydroxybenzoate has a molecular weight of 340.33 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-hydroxybenzoate is sourced from PubChem (CID 71770896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).