methyl (Z)-3-(4-buta-2,3-dienoxyphenyl)prop-2-enoate

C14H14O3 — CID 10105253

IUPACmethyl (Z)-3-(4-buta-2,3-dienoxyphenyl)prop-2-enoate
SMILESC=C=CCOc1ccc(/C=C\C(=O)OC)cc1
InChIInChI=1S/C14H14O3/c1-3-4-11-17-13-8-5-12(6-9-13)7-10-14(15)16-2/h4-10H,1,11H2,2H3/b10-7-
InChIKeyLUTXPQCBZWHPTG-YFHOEESVSA-N
MW230.26 g/mol
LogP2.59
Rot. Bonds5

About methyl (Z)-3-(4-buta-2,3-dienoxyphenyl)prop-2-enoate

methyl (Z)-3-(4-buta-2,3-dienoxyphenyl)prop-2-enoate (PubChem CID 10105253) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl (Z)-3-(4-buta-2,3-dienoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(4-buta-2,3-dienoxyphenyl)prop-2-enoate
PubChem CID10105253
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Namemethyl (Z)-3-(4-buta-2,3-dienoxyphenyl)prop-2-enoate
SMILESC=C=CCOc1ccc(/C=C\C(=O)OC)cc1
InChIInChI=1S/C14H14O3/c1-3-4-11-17-13-8-5-12(6-9-13)7-10-14(15)16-2/h4-10H,1,11H2,2H3/b10-7-
InChIKeyLUTXPQCBZWHPTG-YFHOEESVSA-N
XLogP2.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(4-buta-2,3-dienoxyphenyl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(4-buta-2,3-dienoxyphenyl)prop-2-enoate (CID 10105253) is methyl (Z)-3-(4-buta-2,3-dienoxyphenyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(4-buta-2,3-dienoxyphenyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(4-buta-2,3-dienoxyphenyl)prop-2-enoate is C=C=CCOc1ccc(/C=C\C(=O)OC)cc1.
What is the InChIKey of methyl (Z)-3-(4-buta-2,3-dienoxyphenyl)prop-2-enoate?
The InChIKey is LUTXPQCBZWHPTG-YFHOEESVSA-N. The full InChI is InChI=1S/C14H14O3/c1-3-4-11-17-13-8-5-12(6-9-13)7-10-14(15)16-2/h4-10H,1,11H2,2H3/b10-7-.
What are the key properties of methyl (Z)-3-(4-buta-2,3-dienoxyphenyl)prop-2-enoate?
methyl (Z)-3-(4-buta-2,3-dienoxyphenyl)prop-2-enoate has a molecular weight of 230.26 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(4-buta-2,3-dienoxyphenyl)prop-2-enoate is sourced from PubChem (CID 10105253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).