3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid

C12H10O4 — CID 57198834

IUPAC3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid
SMILESC=CC(=O)Oc1ccccc1C=CC(=O)O
InChIInChI=1S/C12H10O4/c1-2-12(15)16-10-6-4-3-5-9(10)7-8-11(13)14/h2-8H,1H2,(H,13,14)
InChIKeyRUQJKIDDVMRPPE-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.88
Rot. Bonds4

About 3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid

3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid (PubChem CID 57198834) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid
PubChem CID57198834
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid
SMILESC=CC(=O)Oc1ccccc1C=CC(=O)O
InChIInChI=1S/C12H10O4/c1-2-12(15)16-10-6-4-3-5-9(10)7-8-11(13)14/h2-8H,1H2,(H,13,14)
InChIKeyRUQJKIDDVMRPPE-UHFFFAOYSA-N
XLogP1.88
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-pent-4-enoxyphenyl)prop-2-enoic acid
CID 77034106
3-(2-phenoxyphenyl)prop-2-enoic acid
CID 737422
[3-(2-phenylethenyl)-2-prop-2-enoyloxyphenyl] prop-2-enoate
CID 174679512
benzoic acid;(2-hydroxyphenyl) prop-2-enoate
CID 174625141
[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate
CID 102475466
ethenyl acetate;3-(2-methoxyphenyl)prop-2-enoic acid
CID 174790356
(2-methoxyphenyl) prop-2-enoate
CID 22987486
(E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid
CID 5399136
(E)-3-(2-pentan-3-yloxyphenyl)prop-2-enoic acid
CID 69342004
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
[2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate
CID 89405419
(E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid
CID 68869387

Frequently Asked Questions

What is the IUPAC name of 3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid?
The IUPAC name of 3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid (CID 57198834) is 3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid.
What is the SMILES notation for 3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid?
The canonical SMILES for 3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid is C=CC(=O)Oc1ccccc1C=CC(=O)O.
What is the InChIKey of 3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid?
The InChIKey is RUQJKIDDVMRPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-2-12(15)16-10-6-4-3-5-9(10)7-8-11(13)14/h2-8H,1H2,(H,13,14).
What are the key properties of 3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid?
3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid has a molecular weight of 218.21 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 57198834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).