3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid

C19H20O5 — CID 68550256

IUPAC3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid
SMILESCOCCOc1ccc(C=CC(=O)O)c(OCc2ccccc2)c1
InChIInChI=1S/C19H20O5/c1-22-11-12-23-17-9-7-16(8-10-19(20)21)18(13-17)24-14-15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3,(H,20,21)
InChIKeyFCJMHDXHMMBHGN-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.39
Rot. Bonds9

About 3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid

3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid (PubChem CID 68550256) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is 3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid
PubChem CID68550256
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid
SMILESCOCCOc1ccc(C=CC(=O)O)c(OCc2ccccc2)c1
InChIInChI=1S/C19H20O5/c1-22-11-12-23-17-9-7-16(8-10-19(20)21)18(13-17)24-14-15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3,(H,20,21)
InChIKeyFCJMHDXHMMBHGN-UHFFFAOYSA-N
XLogP3.39
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(2-phenylmethoxy-4-propoxyphenyl)prop-2-enoate
CID 86618807
(E)-3-(2-methoxy-5-phenylmethoxyphenyl)prop-2-enoic acid
CID 11414899
3-(4-iodo-2-phenylmethoxyphenyl)prop-2-enoic acid
CID 68631589
(Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid
CID 89026724
3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid
CID 68884286
1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene
CID 52916293
3-[2-[2-(3,4-dimethylphenoxy)ethoxy]-4-methoxyphenyl]prop-2-enoic acid
CID 22683689
(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887379
3-[2,4-bis(phenylmethoxy)phenyl]-1-(2,4-diethoxyphenyl)prop-2-en-1-one
CID 139826532
3-hydroxy-2-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]propanal
CID 91202911
3-(4-ethoxy-2-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826426
1-(2-ethoxy-4-phenylmethoxyphenyl)-3-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826595

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid?
The IUPAC name of 3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid (CID 68550256) is 3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid?
The canonical SMILES for 3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid is COCCOc1ccc(C=CC(=O)O)c(OCc2ccccc2)c1.
What is the InChIKey of 3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid?
The InChIKey is FCJMHDXHMMBHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-22-11-12-23-17-9-7-16(8-10-19(20)21)18(13-17)24-14-15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3,(H,20,21).
What are the key properties of 3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid?
3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid has a molecular weight of 328.36 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid is sourced from PubChem (CID 68550256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).