4-(4-hydroxy-2-prop-2-enoyloxybutoxy)carbonylbenzoate

C15H15O7- — CID 71331175

IUPAC4-(4-hydroxy-2-prop-2-enoyloxybutoxy)carbonylbenzoate
SMILESC=CC(=O)OC(CCO)COC(=O)c1ccc(C(=O)[O-])cc1
InChIInChI=1S/C15H16O7/c1-2-13(17)22-12(7-8-16)9-21-15(20)11-5-3-10(4-6-11)14(18)19/h2-6,12,16H,1,7-9H2,(H,18,19)/p-1
InChIKeyOVRWUNYKLOGAIJ-UHFFFAOYSA-M
MW307.28 g/mol
LogP-0.31
Rot. Bonds8

About 4-(4-hydroxy-2-prop-2-enoyloxybutoxy)carbonylbenzoate

4-(4-hydroxy-2-prop-2-enoyloxybutoxy)carbonylbenzoate (PubChem CID 71331175) has the molecular formula C15H15O7- and a molecular weight of 307.28 g/mol. Its IUPAC name is 4-(4-hydroxy-2-prop-2-enoyloxybutoxy)carbonylbenzoate.

Molecular Properties

Compound Name4-(4-hydroxy-2-prop-2-enoyloxybutoxy)carbonylbenzoate
PubChem CID71331175
Molecular FormulaC15H15O7-
Molecular Weight307.28 g/mol
Exact Mass307.08
IUPAC Name4-(4-hydroxy-2-prop-2-enoyloxybutoxy)carbonylbenzoate
SMILESC=CC(=O)OC(CCO)COC(=O)c1ccc(C(=O)[O-])cc1
InChIInChI=1S/C15H16O7/c1-2-13(17)22-12(7-8-16)9-21-15(20)11-5-3-10(4-6-11)14(18)19/h2-6,12,16H,1,7-9H2,(H,18,19)/p-1
InChIKeyOVRWUNYKLOGAIJ-UHFFFAOYSA-M
XLogP-0.31
TPSA112.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis[3-(1,3-dithiolan-2-ylmethylsulfanyl)-2-prop-2-enoyloxypropyl] benzene-1,4-dicarboxylate
CID 91598090
2-(2-prop-2-enoyloxybutoxycarbonyl)benzoate
CID 23001978
cesium 4-(2-methylpropoxycarbonyl)benzoate
CID 175246197
4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate
CID 58231919
4-prop-2-enoyloxyhexyl benzoate
CID 175019274
2-prop-2-enoyloxyheptyl prop-2-enoate
CID 123616440
4-[2,3-di(prop-2-enoyloxy)propoxy]benzoic acid
CID 122419882
2,3-dihydroxypropyl benzoate dibenzoate
CID 20976561
[4-hydroxy-2-(2-hydroxyethyl)butyl] 4-methylbenzoate
CID 54379511
4-(2,4-dihydroxybutoxycarbonyl)benzoic acid
CID 22728349
2,3-bis[(4-carbonochloridoylbenzoyl)oxy]propyl 4-carbonochloridoylbenzoate
CID 102069502
ethane-1,2-diol;iron(2+);terephthalate
CID 174939039

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-prop-2-enoyloxybutoxy)carbonylbenzoate?
The IUPAC name of 4-(4-hydroxy-2-prop-2-enoyloxybutoxy)carbonylbenzoate (CID 71331175) is 4-(4-hydroxy-2-prop-2-enoyloxybutoxy)carbonylbenzoate.
What is the SMILES notation for 4-(4-hydroxy-2-prop-2-enoyloxybutoxy)carbonylbenzoate?
The canonical SMILES for 4-(4-hydroxy-2-prop-2-enoyloxybutoxy)carbonylbenzoate is C=CC(=O)OC(CCO)COC(=O)c1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-(4-hydroxy-2-prop-2-enoyloxybutoxy)carbonylbenzoate?
The InChIKey is OVRWUNYKLOGAIJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16O7/c1-2-13(17)22-12(7-8-16)9-21-15(20)11-5-3-10(4-6-11)14(18)19/h2-6,12,16H,1,7-9H2,(H,18,19)/p-1.
What are the key properties of 4-(4-hydroxy-2-prop-2-enoyloxybutoxy)carbonylbenzoate?
4-(4-hydroxy-2-prop-2-enoyloxybutoxy)carbonylbenzoate has a molecular weight of 307.28 g/mol, XLogP of -0.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-prop-2-enoyloxybutoxy)carbonylbenzoate is sourced from PubChem (CID 71331175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).