3-(3-methoxy-4-phenoxyphenyl)prop-2-enoic acid

C16H14O4 — CID 172757581

IUPAC3-(3-methoxy-4-phenoxyphenyl)prop-2-enoic acid
SMILESCOc1cc(C=CC(=O)O)ccc1Oc1ccccc1
InChIInChI=1S/C16H14O4/c1-19-15-11-12(8-10-16(17)18)7-9-14(15)20-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
InChIKeyLFWMEZXFKYBCNP-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.59
Rot. Bonds5

About 3-(3-methoxy-4-phenoxyphenyl)prop-2-enoic acid

3-(3-methoxy-4-phenoxyphenyl)prop-2-enoic acid (PubChem CID 172757581) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-(3-methoxy-4-phenoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(3-methoxy-4-phenoxyphenyl)prop-2-enoic acid
PubChem CID172757581
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name3-(3-methoxy-4-phenoxyphenyl)prop-2-enoic acid
SMILESCOc1cc(C=CC(=O)O)ccc1Oc1ccccc1
InChIInChI=1S/C16H14O4/c1-19-15-11-12(8-10-16(17)18)7-9-14(15)20-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
InChIKeyLFWMEZXFKYBCNP-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

(E)-1-(2,4-dimethoxyphenyl)-3-(3-methoxy-4-phenoxyphenyl)prop-2-en-1-one
CID 71593022
(E)-3-(3-methoxy-4-sulfanyloxyphenyl)prop-2-enoic acid
CID 145055482
chloro(methyl)mercury;3-(3,4-dimethoxyphenyl)prop-2-enoic acid
CID 67566046
(E)-3-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoic acid
CID 146640129
3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid
CID 71444927
(E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid;ethane;2-methylpropan-2-ol
CID 142376812
(E)-3-[4-(fluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 168908115
(E)-3-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22681029
(Z)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 2341134
3-(3-methoxy-4-phosphonooxyphenyl)prop-2-enoic acid
CID 67184403
3-(3-methoxy-4-nitrooxyphenyl)prop-2-enoic acid
CID 123996888
azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 25050146

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-phenoxyphenyl)prop-2-enoic acid?
The IUPAC name of 3-(3-methoxy-4-phenoxyphenyl)prop-2-enoic acid (CID 172757581) is 3-(3-methoxy-4-phenoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for 3-(3-methoxy-4-phenoxyphenyl)prop-2-enoic acid?
The canonical SMILES for 3-(3-methoxy-4-phenoxyphenyl)prop-2-enoic acid is COc1cc(C=CC(=O)O)ccc1Oc1ccccc1.
What is the InChIKey of 3-(3-methoxy-4-phenoxyphenyl)prop-2-enoic acid?
The InChIKey is LFWMEZXFKYBCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-19-15-11-12(8-10-16(17)18)7-9-14(15)20-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18).
What are the key properties of 3-(3-methoxy-4-phenoxyphenyl)prop-2-enoic acid?
3-(3-methoxy-4-phenoxyphenyl)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-methoxy-4-phenoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 172757581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).