ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate

C20H22O4 — CID 54167741

IUPACethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(OCc2ccccc2)c(OCC)c1
InChIInChI=1S/C20H22O4/c1-3-22-19-14-16(11-13-20(21)23-4-2)10-12-18(19)24-15-17-8-6-5-7-9-17/h5-14H,3-4,15H2,1-2H3
InChIKeyOSVCVDNPZMMIEE-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.24
Rot. Bonds8

About ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate

ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate (PubChem CID 54167741) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
PubChem CID54167741
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Nameethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(OCc2ccccc2)c(OCC)c1
InChIInChI=1S/C20H22O4/c1-3-22-19-14-16(11-13-20(21)23-4-2)10-12-18(19)24-15-17-8-6-5-7-9-17/h5-14H,3-4,15H2,1-2H3
InChIKeyOSVCVDNPZMMIEE-UHFFFAOYSA-N
XLogP4.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 2478599
3-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 22684129
2-[[(E)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102534978
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 169454327
methyl (E)-3-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]prop-2-enoate
CID 91689933
N-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide
CID 169466602
ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate
CID 91099844
(E)-3-(3-ethoxy-4-phenylmethoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854326
ethyl (E)-3-[3,4-bis(2-fluoroethoxy)phenyl]prop-2-enoate
CID 134093301
ethyl 3-[4-[(4-ethoxyphenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-enoate
CID 141145499

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate?
The IUPAC name of ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate (CID 54167741) is ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate is CCOC(=O)C=Cc1ccc(OCc2ccccc2)c(OCC)c1.
What is the InChIKey of ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate?
The InChIKey is OSVCVDNPZMMIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-3-22-19-14-16(11-13-20(21)23-4-2)10-12-18(19)24-15-17-8-6-5-7-9-17/h5-14H,3-4,15H2,1-2H3.
What are the key properties of ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate?
ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate has a molecular weight of 326.39 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 54167741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).