2-hydroxyethyl (E)-3-(4-butoxyphenyl)prop-2-enoate

C15H20O4 — CID 12637015

IUPAC2-hydroxyethyl (E)-3-(4-butoxyphenyl)prop-2-enoate
SMILESCCCCOc1ccc(/C=C/C(=O)OCCO)cc1
InChIInChI=1S/C15H20O4/c1-2-3-11-18-14-7-4-13(5-8-14)6-9-15(17)19-12-10-16/h4-9,16H,2-3,10-12H2,1H3/b9-6+
InChIKeyZYUUORJLHATJNA-RMKNXTFCSA-N
MW264.32 g/mol
LogP2.41
Rot. Bonds8

About 2-hydroxyethyl (E)-3-(4-butoxyphenyl)prop-2-enoate

2-hydroxyethyl (E)-3-(4-butoxyphenyl)prop-2-enoate (PubChem CID 12637015) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-hydroxyethyl (E)-3-(4-butoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl (E)-3-(4-butoxyphenyl)prop-2-enoate
PubChem CID12637015
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-hydroxyethyl (E)-3-(4-butoxyphenyl)prop-2-enoate
SMILESCCCCOc1ccc(/C=C/C(=O)OCCO)cc1
InChIInChI=1S/C15H20O4/c1-2-3-11-18-14-7-4-13(5-8-14)6-9-15(17)19-12-10-16/h4-9,16H,2-3,10-12H2,1H3/b9-6+
InChIKeyZYUUORJLHATJNA-RMKNXTFCSA-N
XLogP2.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.41
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'}

Analyze 2-hydroxyethyl (E)-3-(4-butoxyphenyl)prop-2-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl (E)-3-(4-butoxyphenyl)prop-2-enoate?
The IUPAC name of 2-hydroxyethyl (E)-3-(4-butoxyphenyl)prop-2-enoate (CID 12637015) is 2-hydroxyethyl (E)-3-(4-butoxyphenyl)prop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl (E)-3-(4-butoxyphenyl)prop-2-enoate?
The canonical SMILES for 2-hydroxyethyl (E)-3-(4-butoxyphenyl)prop-2-enoate is CCCCOc1ccc(/C=C/C(=O)OCCO)cc1.
What is the InChIKey of 2-hydroxyethyl (E)-3-(4-butoxyphenyl)prop-2-enoate?
The InChIKey is ZYUUORJLHATJNA-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H20O4/c1-2-3-11-18-14-7-4-13(5-8-14)6-9-15(17)19-12-10-16/h4-9,16H,2-3,10-12H2,1H3/b9-6+.
What are the key properties of 2-hydroxyethyl (E)-3-(4-butoxyphenyl)prop-2-enoate?
2-hydroxyethyl (E)-3-(4-butoxyphenyl)prop-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl (E)-3-(4-butoxyphenyl)prop-2-enoate is sourced from PubChem (CID 12637015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).