2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid

C16H14O5 — CID 75052814

IUPAC2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C=Cc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C16H14O5/c17-13-7-12(8-14(18)9-13)2-1-11-3-5-15(6-4-11)21-10-16(19)20/h1-9,17-18H,10H2,(H,19,20)
InChIKeyINVXNRJFCIBXGV-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.73
Rot. Bonds5

About 2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid

2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid (PubChem CID 75052814) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid
PubChem CID75052814
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C=Cc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C16H14O5/c17-13-7-12(8-14(18)9-13)2-1-11-3-5-15(6-4-11)21-10-16(19)20/h1-9,17-18H,10H2,(H,19,20)
InChIKeyINVXNRJFCIBXGV-UHFFFAOYSA-N
XLogP2.73
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]acetic acid
CID 5377973
5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol
CID 57478509
2-[4-[(E)-3-amino-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 170876536
5-[2-(4-propoxyphenyl)ethenyl]benzene-1,3-diol
CID 67436297
4-aminophenol;2-(4-formylphenoxy)acetic acid
CID 88661366
2-[4-[2-(6-bromo-2-hydroxynaphthalen-1-yl)ethenyl]phenoxy]acetic acid
CID 74927024
2-[4-(2-quinolin-2-ylethenyl)phenoxy]acetic acid
CID 4998938
(E)-3-[4-(carboxymethoxy)phenyl]-2-methylprop-2-enoic acid
CID 170872967
disodium;4-[3-[4-(carboxymethoxy)phenyl]prop-2-enoyl]benzoic acid;hydride
CID 173442672
2-[4-(4-acetylsulfanylbut-1-enyl)phenoxy]acetic acid
CID 170480704
2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]acetic acid
CID 129450942
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid (CID 75052814) is 2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid is O=C(O)COc1ccc(C=Cc2cc(O)cc(O)c2)cc1.
What is the InChIKey of 2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid?
The InChIKey is INVXNRJFCIBXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c17-13-7-12(8-14(18)9-13)2-1-11-3-5-15(6-4-11)21-10-16(19)20/h1-9,17-18H,10H2,(H,19,20).
What are the key properties of 2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid?
2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid has a molecular weight of 286.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]acetic acid is sourced from PubChem (CID 75052814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).