3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid

C16H14O4 — CID 54322707

IUPAC3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
SMILESCOc1ccc(Oc2cccc(C=CC(=O)O)c2)cc1
InChIInChI=1S/C16H14O4/c1-19-13-6-8-14(9-7-13)20-15-4-2-3-12(11-15)5-10-16(17)18/h2-11H,1H3,(H,17,18)
InChIKeySSTIYHKVFYGJTQ-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.59
Rot. Bonds5

About 3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid

3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid (PubChem CID 54322707) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
PubChem CID54322707
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
SMILESCOc1ccc(Oc2cccc(C=CC(=O)O)c2)cc1
InChIInChI=1S/C16H14O4/c1-19-13-6-8-14(9-7-13)20-15-4-2-3-12(11-15)5-10-16(17)18/h2-11H,1H3,(H,17,18)
InChIKeySSTIYHKVFYGJTQ-UHFFFAOYSA-N
XLogP3.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4-ethoxyphenoxy)phenyl]prop-2-enoic acid
CID 77013821
3-[4-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 20993961
(E)-3-[3-(4-methoxyphenyl)phenyl]prop-2-enoic acid
CID 11161124
4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid
CID 86184285
methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate
CID 10422431
3-[3-(3-propan-2-ylphenoxy)phenyl]prop-2-enoic acid
CID 77013834
3-[3-(4-bromo-3-fluorophenoxy)phenyl]prop-2-enoic acid
CID 77059471
(2E,4Z)-5-(3-methoxyphenyl)penta-2,4-dienoic acid
CID 86306504
(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 92913082
CID 69129935
CID 69129935
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
methyl (E)-3-[3-(4-hydroxyphenoxy)phenyl]prop-2-enoate
CID 67836527

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid?
The IUPAC name of 3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid (CID 54322707) is 3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid is COc1ccc(Oc2cccc(C=CC(=O)O)c2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid?
The InChIKey is SSTIYHKVFYGJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-19-13-6-8-14(9-7-13)20-15-4-2-3-12(11-15)5-10-16(17)18/h2-11H,1H3,(H,17,18).
What are the key properties of 3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid?
3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid has a molecular weight of 270.28 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 54322707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).