benzyl (E)-3-methoxyprop-2-enoate

C11H12O3 — CID 23124979

IUPACbenzyl (E)-3-methoxyprop-2-enoate
SMILESCO/C=C/C(=O)OCc1ccccc1
InChIInChI=1S/C11H12O3/c1-13-8-7-11(12)14-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3/b8-7+
InChIKeyGHGVCRYWPTYSOZ-BQYQJAHWSA-N
MW192.21 g/mol
LogP1.89
Rot. Bonds4

About benzyl (E)-3-methoxyprop-2-enoate

benzyl (E)-3-methoxyprop-2-enoate (PubChem CID 23124979) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is benzyl (E)-3-methoxyprop-2-enoate.

Molecular Properties

Compound Namebenzyl (E)-3-methoxyprop-2-enoate
PubChem CID23124979
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Namebenzyl (E)-3-methoxyprop-2-enoate
SMILESCO/C=C/C(=O)OCc1ccccc1
InChIInChI=1S/C11H12O3/c1-13-8-7-11(12)14-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3/b8-7+
InChIKeyGHGVCRYWPTYSOZ-BQYQJAHWSA-N
XLogP1.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

benzyl (E)-but-2-enoate
CID 5356259
benzyl (E)-3-aminoprop-2-enoate
CID 12649137
4-oxo-4-phenylmethoxybut-2-enoate
CID 53421494
azane;4-oxo-4-phenylmethoxybut-2-enoic acid
CID 77366810
dibenzyl (Z)-but-2-enedioate;diphenyl (Z)-but-2-enedioate
CID 160774605
1-O-benzyl 4-O-fluoro (E)-but-2-enedioate
CID 174410585
benzyl hex-2-enoate
CID 3828590
methane;bis((Z)-4-oxo-4-phenylmethoxybut-2-enoate);tin(2+)
CID 101318155
benzyl (E)-3-cyanoprop-2-enoate
CID 15285348
benzyl (E)-4-methoxyhex-2-enoate
CID 138975829
benzyl (E)-3-(2-methylphenyl)prop-2-enoate
CID 16742105
4-O-[[4-[[(Z)-4-methoxy-4-oxobut-2-enoyl]oxymethyl]phenyl]methyl] 1-O-methyl (Z)-but-2-enedioate
CID 102439489

Frequently Asked Questions

What is the IUPAC name of benzyl (E)-3-methoxyprop-2-enoate?
The IUPAC name of benzyl (E)-3-methoxyprop-2-enoate (CID 23124979) is benzyl (E)-3-methoxyprop-2-enoate.
What is the SMILES notation for benzyl (E)-3-methoxyprop-2-enoate?
The canonical SMILES for benzyl (E)-3-methoxyprop-2-enoate is CO/C=C/C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (E)-3-methoxyprop-2-enoate?
The InChIKey is GHGVCRYWPTYSOZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H12O3/c1-13-8-7-11(12)14-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3/b8-7+.
What are the key properties of benzyl (E)-3-methoxyprop-2-enoate?
benzyl (E)-3-methoxyprop-2-enoate has a molecular weight of 192.21 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (E)-3-methoxyprop-2-enoate is sourced from PubChem (CID 23124979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).