3-[2-(2-cyclopropylethoxy)-4-methoxyphenyl]prop-2-enoic acid

C15H18O4 — CID 77073969

IUPAC3-[2-(2-cyclopropylethoxy)-4-methoxyphenyl]prop-2-enoic acid
SMILESCOc1ccc(C=CC(=O)O)c(OCCC2CC2)c1
InChIInChI=1S/C15H18O4/c1-18-13-6-4-12(5-7-15(16)17)14(10-13)19-9-8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyNUGYLRORSLYLLX-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.97
Rot. Bonds7

About 3-[2-(2-cyclopropylethoxy)-4-methoxyphenyl]prop-2-enoic acid

3-[2-(2-cyclopropylethoxy)-4-methoxyphenyl]prop-2-enoic acid (PubChem CID 77073969) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[2-(2-cyclopropylethoxy)-4-methoxyphenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[2-(2-cyclopropylethoxy)-4-methoxyphenyl]prop-2-enoic acid
PubChem CID77073969
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name3-[2-(2-cyclopropylethoxy)-4-methoxyphenyl]prop-2-enoic acid
SMILESCOc1ccc(C=CC(=O)O)c(OCCC2CC2)c1
InChIInChI=1S/C15H18O4/c1-18-13-6-4-12(5-7-15(16)17)14(10-13)19-9-8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyNUGYLRORSLYLLX-UHFFFAOYSA-N
XLogP2.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.97
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-[2-(cyclopentylmethoxy)-4-methoxyphenyl]prop-2-enoic acid
CID 76898220
3-[4-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]prop-2-enoic acid
CID 77100285
3-[2-[2-(3,4-dimethylphenoxy)ethoxy]-4-methoxyphenyl]prop-2-enoic acid
CID 22683689
3-[2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxyphenyl]prop-2-enoic acid
CID 22683597
3-[4-methoxy-2-(2-thiophen-3-ylethoxy)phenyl]prop-2-enoic acid
CID 77016425
(E)-3-(5-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 43267828
3-[2-[2-(2-tert-butyl-6-methylphenoxy)ethoxy]-4-methoxyphenyl]prop-2-enoic acid
CID 20993694
3-[4-methoxy-2-(2-methylpentoxy)phenyl]prop-2-enoic acid
CID 76937903
(Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid
CID 89026724
(E)-3-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]prop-2-enoic acid
CID 115979059
2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene
CID 104707383
(E)-3-[2-(2-fluoroethoxy)-4-propoxyphenyl]prop-2-enoic acid
CID 80694777

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-cyclopropylethoxy)-4-methoxyphenyl]prop-2-enoic acid?
The IUPAC name of 3-[2-(2-cyclopropylethoxy)-4-methoxyphenyl]prop-2-enoic acid (CID 77073969) is 3-[2-(2-cyclopropylethoxy)-4-methoxyphenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[2-(2-cyclopropylethoxy)-4-methoxyphenyl]prop-2-enoic acid?
The canonical SMILES for 3-[2-(2-cyclopropylethoxy)-4-methoxyphenyl]prop-2-enoic acid is COc1ccc(C=CC(=O)O)c(OCCC2CC2)c1.
What is the InChIKey of 3-[2-(2-cyclopropylethoxy)-4-methoxyphenyl]prop-2-enoic acid?
The InChIKey is NUGYLRORSLYLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-18-13-6-4-12(5-7-15(16)17)14(10-13)19-9-8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,16,17).
What are the key properties of 3-[2-(2-cyclopropylethoxy)-4-methoxyphenyl]prop-2-enoic acid?
3-[2-(2-cyclopropylethoxy)-4-methoxyphenyl]prop-2-enoic acid has a molecular weight of 262.31 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-cyclopropylethoxy)-4-methoxyphenyl]prop-2-enoic acid is sourced from PubChem (CID 77073969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).