(E)-3-(5-methoxy-2-propoxyphenyl)prop-2-enoic acid

C13H16O4 — CID 43267828

IUPAC(E)-3-(5-methoxy-2-propoxyphenyl)prop-2-enoic acid
SMILESCCCOc1ccc(OC)cc1/C=C/C(=O)O
InChIInChI=1S/C13H16O4/c1-3-8-17-12-6-5-11(16-2)9-10(12)4-7-13(14)15/h4-7,9H,3,8H2,1-2H3,(H,14,15)/b7-4+
InChIKeyZVFBDIKMCRFNNC-QPJJXVBHSA-N
MW236.27 g/mol
LogP2.58
Rot. Bonds6

About (E)-3-(5-methoxy-2-propoxyphenyl)prop-2-enoic acid

(E)-3-(5-methoxy-2-propoxyphenyl)prop-2-enoic acid (PubChem CID 43267828) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is (E)-3-(5-methoxy-2-propoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(5-methoxy-2-propoxyphenyl)prop-2-enoic acid
PubChem CID43267828
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name(E)-3-(5-methoxy-2-propoxyphenyl)prop-2-enoic acid
SMILESCCCOc1ccc(OC)cc1/C=C/C(=O)O
InChIInChI=1S/C13H16O4/c1-3-8-17-12-6-5-11(16-2)9-10(12)4-7-13(14)15/h4-7,9H,3,8H2,1-2H3,(H,14,15)/b7-4+
InChIKeyZVFBDIKMCRFNNC-QPJJXVBHSA-N
XLogP2.58
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(5-methoxy-2-propoxyphenyl)prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-methyl-2-propoxyphenyl)prop-2-enoic acid
CID 77011388
(E)-3-[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]prop-2-enoic acid
CID 106454077
(E)-3-[2-[2-(ethylamino)-2-oxoethoxy]-5-methoxyphenyl]prop-2-enoic acid
CID 43267848
3-(2-but-2-ynoxy-5-methoxyphenyl)prop-2-enoic acid
CID 76939169
3-[5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 76954491
(E)-3-(2-butan-2-yloxy-5-methoxyphenyl)prop-2-enoic acid
CID 43267855
(E)-3-(2,5-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)prop-2-enamide
CID 7924138
(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoic acid
CID 20534154
6-(2,5-dimethoxyphenyl)-4-oxohexa-2,5-dienoic acid
CID 54025408
(E)-3-[2-(2-fluoroethoxy)-4-propoxyphenyl]prop-2-enoic acid
CID 80694777
(E)-3-(2-methoxy-5-phenylmethoxyphenyl)prop-2-enoic acid
CID 11414899
(E)-3-[2-ethoxy-5-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 170997964

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methoxy-2-propoxyphenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(5-methoxy-2-propoxyphenyl)prop-2-enoic acid (CID 43267828) is (E)-3-(5-methoxy-2-propoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(5-methoxy-2-propoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(5-methoxy-2-propoxyphenyl)prop-2-enoic acid is CCCOc1ccc(OC)cc1/C=C/C(=O)O.
What is the InChIKey of (E)-3-(5-methoxy-2-propoxyphenyl)prop-2-enoic acid?
The InChIKey is ZVFBDIKMCRFNNC-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H16O4/c1-3-8-17-12-6-5-11(16-2)9-10(12)4-7-13(14)15/h4-7,9H,3,8H2,1-2H3,(H,14,15)/b7-4+.
What are the key properties of (E)-3-(5-methoxy-2-propoxyphenyl)prop-2-enoic acid?
(E)-3-(5-methoxy-2-propoxyphenyl)prop-2-enoic acid has a molecular weight of 236.27 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methoxy-2-propoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 43267828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).