2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate

C20H22O4 — CID 176610982

IUPAC2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate
SMILESC/C(=C\CCOc1ccccc1)C(=O)OCCOc1ccccc1
InChIInChI=1S/C20H22O4/c1-17(9-8-14-22-18-10-4-2-5-11-18)20(21)24-16-15-23-19-12-6-3-7-13-19/h2-7,9-13H,8,14-16H2,1H3/b17-9+
InChIKeyDNVOPPQDEDDBOA-RQZCQDPDSA-N
MW326.39 g/mol
LogP4.02
Rot. Bonds9

About 2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate

2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate (PubChem CID 176610982) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate.

Molecular Properties

Compound Name2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate
PubChem CID176610982
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate
SMILESC/C(=C\CCOc1ccccc1)C(=O)OCCOc1ccccc1
InChIInChI=1S/C20H22O4/c1-17(9-8-14-22-18-10-4-2-5-11-18)20(21)24-16-15-23-19-12-6-3-7-13-19/h2-7,9-13H,8,14-16H2,1H3/b17-9+
InChIKeyDNVOPPQDEDDBOA-RQZCQDPDSA-N
XLogP4.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
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'}

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Related Compounds

2-methyl-5-(2-methyl-5-phenoxypent-2-enoyl)oxypent-2-enoic acid
CID 91283637
2-ethoxyethyl 2-methyl-5-phenoxypent-2-enoate
CID 174222574
2-methyl-5-phenoxypent-2-enamide
CID 135224493
benzyl 2-methyl-5-phenoxypent-2-enoate;prop-2-enoic acid
CID 174943617
2-phenylethyl 2-methyl-5-phenylpent-2-enoate
CID 174876813
2-phenoxyethyl 2-oxobutanoate
CID 71400908
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
(E)-2-methyl-9-phenoxynon-2-enoic acid
CID 118914903
2-phenoxyethyl 2-aminopropanoate
CID 61301873
2-acetyloxyethyl 5-acetyloxy-2-methylpent-2-enoate
CID 157306081
ethyl 2-methyl-5-phenylmethoxypent-2-enoate
CID 71337058
2-phenoxyethyl 2-aminoacetate
CID 61302270

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate?
The IUPAC name of 2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate (CID 176610982) is 2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate.
What is the SMILES notation for 2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate?
The canonical SMILES for 2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate is C/C(=C\CCOc1ccccc1)C(=O)OCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate?
The InChIKey is DNVOPPQDEDDBOA-RQZCQDPDSA-N. The full InChI is InChI=1S/C20H22O4/c1-17(9-8-14-22-18-10-4-2-5-11-18)20(21)24-16-15-23-19-12-6-3-7-13-19/h2-7,9-13H,8,14-16H2,1H3/b17-9+.
What are the key properties of 2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate?
2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate has a molecular weight of 326.39 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate is sourced from PubChem (CID 176610982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).