ethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate

C20H20O5 — CID 11727535

IUPACethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20O5/c1-3-24-20(22)14-25-18-11-7-16(8-12-18)19(21)13-6-15-4-9-17(23-2)10-5-15/h4-13H,3,14H2,1-2H3/b13-6+
InChIKeyQSIYOMXVVOTHCT-AWNIVKPZSA-N
MW340.38 g/mol
LogP3.53
Rot. Bonds8

About ethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate

ethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate (PubChem CID 11727535) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate
PubChem CID11727535
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Nameethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C(=O)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20O5/c1-3-24-20(22)14-25-18-11-7-16(8-12-18)19(21)13-6-15-4-9-17(23-2)10-5-15/h4-13H,3,14H2,1-2H3/b13-6+
InChIKeyQSIYOMXVVOTHCT-AWNIVKPZSA-N
XLogP3.53
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
CID 9067372
2-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
CID 7808888
[4-[3-(4-ethoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate
CID 3529372
(Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 92913105
1-[4-(3-bromopropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 151785778
4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde
CID 150176729
(E)-1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5357659
methyl 4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 2844299
(E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 21324463
3-(4-bromophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 2880500
2-[4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]acetic acid
CID 7973015
2-[4-[(E)-3-(4-propoxyphenyl)prop-2-enoyl]phenoxy]acetic acid
CID 9447721

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate (CID 11727535) is ethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate is CCOC(=O)COc1ccc(C(=O)/C=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of ethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate?
The InChIKey is QSIYOMXVVOTHCT-AWNIVKPZSA-N. The full InChI is InChI=1S/C20H20O5/c1-3-24-20(22)14-25-18-11-7-16(8-12-18)19(21)13-6-15-4-9-17(23-2)10-5-15/h4-13H,3,14H2,1-2H3/b13-6+.
What are the key properties of ethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate?
ethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate has a molecular weight of 340.38 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate is sourced from PubChem (CID 11727535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).