2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid

C11H10O5 — CID 101219702

IUPAC2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid
SMILESO=C(O)COC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C11H10O5/c12-9-4-1-8(2-5-9)3-6-11(15)16-7-10(13)14/h1-6,12H,7H2,(H,13,14)/b6-3+
InChIKeyRMPWEBYRPJQKNT-ZZXKWVIFSA-N
MW222.20 g/mol
LogP1.03
Rot. Bonds4

About 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid

2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid (PubChem CID 101219702) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid.

Molecular Properties

Compound Name2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid
PubChem CID101219702
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid
SMILESO=C(O)COC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C11H10O5/c12-9-4-1-8(2-5-9)3-6-11(15)16-7-10(13)14/h1-6,12H,7H2,(H,13,14)/b6-3+
InChIKeyRMPWEBYRPJQKNT-ZZXKWVIFSA-N
XLogP1.03
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylprop-2-enoyloxy)acetic acid
CID 54392103
hydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 134285367
[2-hydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]propyl] 3-(4-hydroxyphenyl)prop-2-enoate
CID 90833706
2-[3-[4-[hydroperoxy(phenyl)methyl]phenyl]prop-2-enoyloxy]acetic acid
CID 161272268
(2R)-2,3-bis[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy]propanoic acid
CID 143525430
(4-chlorophenyl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 14204374
[(2S)-2,3-dihydroxypropyl] 3-(4-hydroxyphenyl)prop-2-enoate
CID 162945043
hexacosyl 3-(4-hydroxyphenyl)prop-2-enoate
CID 516554
(E)-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
CID 175665468
tris(3-(4-hydroxyphenyl)prop-2-enoic acid);lanthanum
CID 153328544
2-oxopropyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 55304934
2-[2-(dihydroxyamino)oxyethoxy]ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 89047695

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid?
The IUPAC name of 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid (CID 101219702) is 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid.
What is the SMILES notation for 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid?
The canonical SMILES for 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid is O=C(O)COC(=O)/C=C/c1ccc(O)cc1.
What is the InChIKey of 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid?
The InChIKey is RMPWEBYRPJQKNT-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H10O5/c12-9-4-1-8(2-5-9)3-6-11(15)16-7-10(13)14/h1-6,12H,7H2,(H,13,14)/b6-3+.
What are the key properties of 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid?
2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid has a molecular weight of 222.20 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyacetic acid is sourced from PubChem (CID 101219702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).