4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid

C22H18O4 — CID 86184285

IUPAC4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid
SMILESCOc1ccc(Oc2cccc(C=Cc3ccc(C(=O)O)cc3)c2)cc1
InChIInChI=1S/C22H18O4/c1-25-19-11-13-20(14-12-19)26-21-4-2-3-17(15-21)6-5-16-7-9-18(10-8-16)22(23)24/h2-15H,1H3,(H,23,24)
InChIKeyQMWVBMMGILCAKW-UHFFFAOYSA-N
MW346.38 g/mol
LogP5.36
Rot. Bonds6

About 4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid

4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid (PubChem CID 86184285) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid
PubChem CID86184285
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid
SMILESCOc1ccc(Oc2cccc(C=Cc3ccc(C(=O)O)cc3)c2)cc1
InChIInChI=1S/C22H18O4/c1-25-19-11-13-20(14-12-19)26-21-4-2-3-17(15-21)6-5-16-7-9-18(10-8-16)22(23)24/h2-15H,1H3,(H,23,24)
InChIKeyQMWVBMMGILCAKW-UHFFFAOYSA-N
XLogP5.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.38
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 54322707
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzoic acid
CID 15511507
(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 92913082
4-[[benzoyl-[2-[4-(3-methoxyphenoxy)phenyl]ethenyl]amino]methyl]benzoic acid
CID 174790986
3-[(Z)-2-(4-carboxyphenyl)ethenyl]benzoic acid
CID 67720414
3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 91944332
3-[2-(4-phenoxyphenyl)ethenyl]benzamide
CID 59728752
4-[(E)-2-(3-phenoxyphenyl)ethenyl]phenol
CID 11587340
6-[4-[(E)-2-[4-(6-formyloxynaphthalen-2-yl)oxyphenyl]ethenyl]phenoxy]naphthalene-2-carboxylic acid
CID 134394156
4-[[4-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]oxyphenyl]methylideneamino]benzoic acid
CID 164824152
4-methoxybenzoic acid;hydrobromide
CID 172731707
4-methoxybenzoic acid;silver
CID 140722019

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid?
The IUPAC name of 4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid (CID 86184285) is 4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid.
What is the SMILES notation for 4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid?
The canonical SMILES for 4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid is COc1ccc(Oc2cccc(C=Cc3ccc(C(=O)O)cc3)c2)cc1.
What is the InChIKey of 4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid?
The InChIKey is QMWVBMMGILCAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c1-25-19-11-13-20(14-12-19)26-21-4-2-3-17(15-21)6-5-16-7-9-18(10-8-16)22(23)24/h2-15H,1H3,(H,23,24).
What are the key properties of 4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid?
4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid has a molecular weight of 346.38 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid is sourced from PubChem (CID 86184285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).