ethyl 3-phenyl-2-(2-phenylethoxy)prop-2-enoate

C19H20O3 — CID 175073664

IUPACethyl 3-phenyl-2-(2-phenylethoxy)prop-2-enoate
SMILESCCOC(=O)C(=Cc1ccccc1)OCCc1ccccc1
InChIInChI=1S/C19H20O3/c1-2-21-19(20)18(15-17-11-7-4-8-12-17)22-14-13-16-9-5-3-6-10-16/h3-12,15H,2,13-14H2,1H3
InChIKeyNBSDESRUNSJABO-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.85
Rot. Bonds7

About ethyl 3-phenyl-2-(2-phenylethoxy)prop-2-enoate

ethyl 3-phenyl-2-(2-phenylethoxy)prop-2-enoate (PubChem CID 175073664) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 3-phenyl-2-(2-phenylethoxy)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-phenyl-2-(2-phenylethoxy)prop-2-enoate
PubChem CID175073664
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Nameethyl 3-phenyl-2-(2-phenylethoxy)prop-2-enoate
SMILESCCOC(=O)C(=Cc1ccccc1)OCCc1ccccc1
InChIInChI=1S/C19H20O3/c1-2-21-19(20)18(15-17-11-7-4-8-12-17)22-14-13-16-9-5-3-6-10-16/h3-12,15H,2,13-14H2,1H3
InChIKeyNBSDESRUNSJABO-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.85
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

ethyl (E)-2-butoxy-3-phenylprop-2-enoate
CID 70582415
ethyl 2-(6-hydroxyhexoxy)-3-phenylprop-2-enoate
CID 141374612
ethyl 2-phenoxy-3-phenylprop-2-enoate
CID 72829048
2-methoxyethyl 2-methoxy-3-phenylprop-2-enoate
CID 150649669
ethyl 2-methylsulfanyl-3-phenylprop-2-enoate
CID 71381071
(Z)-2-ethoxycarbonyl-3-phenylprop-2-enoic acid
CID 643851
ethyl 3-(4-phenylmethoxyphenyl)-2-propan-2-yloxyprop-2-enoate
CID 91601076
ethyl (Z)-2-(bromomethyl)-3-phenyl(313C)prop-2-enoate
CID 11369236
ethyl (Z)-3-phenyl-2-trimethylstannylprop-2-enoate
CID 15881087
ethyl (E)-2-(diethylamino)-3-phenylprop-2-enoate
CID 6279814
2-phenylethyl acetate
CID 7654
ethyl (E)-2-methylsulfonyl-3-phenylprop-2-enoate
CID 12604139

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyl-2-(2-phenylethoxy)prop-2-enoate?
The IUPAC name of ethyl 3-phenyl-2-(2-phenylethoxy)prop-2-enoate (CID 175073664) is ethyl 3-phenyl-2-(2-phenylethoxy)prop-2-enoate.
What is the SMILES notation for ethyl 3-phenyl-2-(2-phenylethoxy)prop-2-enoate?
The canonical SMILES for ethyl 3-phenyl-2-(2-phenylethoxy)prop-2-enoate is CCOC(=O)C(=Cc1ccccc1)OCCc1ccccc1.
What is the InChIKey of ethyl 3-phenyl-2-(2-phenylethoxy)prop-2-enoate?
The InChIKey is NBSDESRUNSJABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-2-21-19(20)18(15-17-11-7-4-8-12-17)22-14-13-16-9-5-3-6-10-16/h3-12,15H,2,13-14H2,1H3.
What are the key properties of ethyl 3-phenyl-2-(2-phenylethoxy)prop-2-enoate?
ethyl 3-phenyl-2-(2-phenylethoxy)prop-2-enoate has a molecular weight of 296.37 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-2-(2-phenylethoxy)prop-2-enoate is sourced from PubChem (CID 175073664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).