ethyl (E)-3-[4-ethoxy-2-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoate

C18H24O5 — CID 89046318

IUPACethyl (E)-3-[4-ethoxy-2-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(OCC)cc1[C@@H](C)OCC1CO1
InChIInChI=1S/C18H24O5/c1-4-20-15-8-6-14(7-9-18(19)21-5-2)17(10-15)13(3)22-11-16-12-23-16/h6-10,13,16H,4-5,11-12H2,1-3H3/b9-7+/t13-,16?/m1/s1
InChIKeyFVAAKDGFUARWHX-LUSJYCEGSA-N
MW320.39 g/mol
LogP3.14
Rot. Bonds9

About ethyl (E)-3-[4-ethoxy-2-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoate

ethyl (E)-3-[4-ethoxy-2-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoate (PubChem CID 89046318) has the molecular formula C18H24O5 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl (E)-3-[4-ethoxy-2-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[4-ethoxy-2-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoate
PubChem CID89046318
Molecular FormulaC18H24O5
Molecular Weight320.39 g/mol
Exact Mass320.16
IUPAC Nameethyl (E)-3-[4-ethoxy-2-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(OCC)cc1[C@@H](C)OCC1CO1
InChIInChI=1S/C18H24O5/c1-4-20-15-8-6-14(7-9-18(19)21-5-2)17(10-15)13(3)22-11-16-12-23-16/h6-10,13,16H,4-5,11-12H2,1-3H3/b9-7+/t13-,16?/m1/s1
InChIKeyFVAAKDGFUARWHX-LUSJYCEGSA-N
XLogP3.14
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[5-methoxy-2-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoate
CID 88892449
ethyl (E)-3-[2-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenyl]prop-2-enoate
CID 58572657
ethyl (E)-5-[4-ethoxy-2-[1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenyl]pent-4-enoate
CID 163997650
ethyl (E)-3-[2-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]-5-(trifluoromethyl)phenyl]prop-2-enoate
CID 87393641
ethyl (E)-3-[2-methyl-6-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoate
CID 88572658
ethyl (E)-3-[3-fluoro-2-methyl-6-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenyl]prop-2-enoate
CID 58572625
ethyl 3-[2-fluoro-6-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenyl]prop-2-enoate
CID 123653115
ethyl (E)-3-[2-[(R)-cyclopropyl-[[(2R)-oxiran-2-yl]methoxy]methyl]phenyl]prop-2-enoate
CID 58572452
3-[5-methyl-2-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoic acid
CID 173076360
ethyl (E)-3-[2-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]-6-(trifluoromethyl)phenyl]prop-2-enoate
CID 58572394
ethyl 3-[4-fluoro-5-methyl-2-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]propyl]phenyl]prop-2-enoate
CID 123854277
ethyl 3-[4-(2-methoxyethoxy)-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoate
CID 91354224

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[4-ethoxy-2-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[4-ethoxy-2-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoate (CID 89046318) is ethyl (E)-3-[4-ethoxy-2-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[4-ethoxy-2-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[4-ethoxy-2-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(OCC)cc1[C@@H](C)OCC1CO1.
What is the InChIKey of ethyl (E)-3-[4-ethoxy-2-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoate?
The InChIKey is FVAAKDGFUARWHX-LUSJYCEGSA-N. The full InChI is InChI=1S/C18H24O5/c1-4-20-15-8-6-14(7-9-18(19)21-5-2)17(10-15)13(3)22-11-16-12-23-16/h6-10,13,16H,4-5,11-12H2,1-3H3/b9-7+/t13-,16?/m1/s1.
What are the key properties of ethyl (E)-3-[4-ethoxy-2-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoate?
ethyl (E)-3-[4-ethoxy-2-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoate has a molecular weight of 320.39 g/mol, XLogP of 3.14, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[4-ethoxy-2-[(1R)-1-(oxiran-2-ylmethoxy)ethyl]phenyl]prop-2-enoate is sourced from PubChem (CID 89046318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).