3-[4-[(4-ethoxyphenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-enoic acid

C21H24O7 — CID 141140361

IUPAC3-[4-[(4-ethoxyphenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-enoic acid
SMILESCCOc1ccc(COc2c(OC)cc(C=CC(=O)O)c(OC)c2OC)cc1
InChIInChI=1S/C21H24O7/c1-5-27-16-9-6-14(7-10-16)13-28-20-17(24-2)12-15(8-11-18(22)23)19(25-3)21(20)26-4/h6-12H,5,13H2,1-4H3,(H,22,23)
InChIKeyRVAZLUIFZPAXPW-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.79
Rot. Bonds10

About 3-[4-[(4-ethoxyphenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-enoic acid

3-[4-[(4-ethoxyphenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-enoic acid (PubChem CID 141140361) has the molecular formula C21H24O7 and a molecular weight of 388.42 g/mol. Its IUPAC name is 3-[4-[(4-ethoxyphenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[4-[(4-ethoxyphenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-enoic acid
PubChem CID141140361
Molecular FormulaC21H24O7
Molecular Weight388.42 g/mol
Exact Mass388.15
IUPAC Name3-[4-[(4-ethoxyphenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-enoic acid
SMILESCCOc1ccc(COc2c(OC)cc(C=CC(=O)O)c(OC)c2OC)cc1
InChIInChI=1S/C21H24O7/c1-5-27-16-9-6-14(7-10-16)13-28-20-17(24-2)12-15(8-11-18(22)23)19(25-3)21(20)26-4/h6-12H,5,13H2,1-4H3,(H,22,23)
InChIKeyRVAZLUIFZPAXPW-UHFFFAOYSA-N
XLogP3.79
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxyphenyl]prop-2-enoate
CID 141140358
2-bromo-4-[(4-ethoxyphenyl)methoxy]-3,5-dimethoxybenzaldehyde
CID 141140359
(E)-3-(2,3-dibromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 155486743
3-[3,5-bis[(4-ethoxyphenyl)methoxy]phenyl]prop-2-enoic acid
CID 141162132
3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid
CID 68884286
(E)-3-(2-methoxy-5-phenylmethoxyphenyl)prop-2-enoic acid
CID 11414899
3-[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 1008179
3-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]prop-2-enoic acid
CID 4209529
3-(5-ethoxy-4-methoxy-2-methylphenyl)prop-2-enoic acid
CID 165355763
(E)-3-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 5379234
3-[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 22687639
2-[6-(2-carboxyethenyl)-2-[(3,4-dimethoxyphenyl)methoxy]-3-methoxyphenyl]propanoic acid
CID 91163729

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-ethoxyphenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-enoic acid?
The IUPAC name of 3-[4-[(4-ethoxyphenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-enoic acid (CID 141140361) is 3-[4-[(4-ethoxyphenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[4-[(4-ethoxyphenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-enoic acid?
The canonical SMILES for 3-[4-[(4-ethoxyphenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-enoic acid is CCOc1ccc(COc2c(OC)cc(C=CC(=O)O)c(OC)c2OC)cc1.
What is the InChIKey of 3-[4-[(4-ethoxyphenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-enoic acid?
The InChIKey is RVAZLUIFZPAXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O7/c1-5-27-16-9-6-14(7-10-16)13-28-20-17(24-2)12-15(8-11-18(22)23)19(25-3)21(20)26-4/h6-12H,5,13H2,1-4H3,(H,22,23).
What are the key properties of 3-[4-[(4-ethoxyphenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-enoic acid?
3-[4-[(4-ethoxyphenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-enoic acid has a molecular weight of 388.42 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-ethoxyphenyl)methoxy]-2,3,5-trimethoxyphenyl]prop-2-enoic acid is sourced from PubChem (CID 141140361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).