ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate

C25H24O3 — CID 91099844

IUPACethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(Cc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C25H24O3/c1-2-27-25(26)17-16-20-12-14-21(15-13-20)18-23-10-6-7-11-24(23)28-19-22-8-4-3-5-9-22/h3-17H,2,18-19H2,1H3
InChIKeyBEEBUPSFXLDOSQ-UHFFFAOYSA-N
MW372.46 g/mol
LogP5.43
Rot. Bonds8

About ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate

ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate (PubChem CID 91099844) has the molecular formula C25H24O3 and a molecular weight of 372.46 g/mol. Its IUPAC name is ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate
PubChem CID91099844
Molecular FormulaC25H24O3
Molecular Weight372.46 g/mol
Exact Mass372.17
IUPAC Nameethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(Cc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C25H24O3/c1-2-27-25(26)17-16-20-12-14-21(15-13-20)18-23-10-6-7-11-24(23)28-19-22-8-4-3-5-9-22/h3-17H,2,18-19H2,1H3
InChIKeyBEEBUPSFXLDOSQ-UHFFFAOYSA-N
XLogP5.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(4-benzylphenyl)prop-2-enoate
CID 67528407
ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 54167741
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
propyl (E)-3-(4-benzylphenyl)prop-2-enoate
CID 158296858
ethyl 3-[4-[[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]phenyl]prop-2-enoate
CID 91195732
ethyl 3-[4-[(4-ethoxyphenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-enoate
CID 141145499
4-benzylaniline;ethyl (E)-3-[4-(phenylmethyl)phenyl]prop-2-enoate;uranium
CID 161145857
ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 131847797
ethyl (E)-3-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 91684640
ethyl 3-[4-[(4-chlorophenyl)methoxy]-3-prop-2-enylphenyl]prop-2-enoate
CID 141145497
(E)-3-(4-ethylphenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 151856282
ethyl 3-[4-(N-[4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]anilino)phenyl]prop-2-enoate
CID 139035919

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate (CID 91099844) is ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate is CCOC(=O)C=Cc1ccc(Cc2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate?
The InChIKey is BEEBUPSFXLDOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O3/c1-2-27-25(26)17-16-20-12-14-21(15-13-20)18-23-10-6-7-11-24(23)28-19-22-8-4-3-5-9-22/h3-17H,2,18-19H2,1H3.
What are the key properties of ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate?
ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate has a molecular weight of 372.46 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[(2-phenylmethoxyphenyl)methyl]phenyl]prop-2-enoate is sourced from PubChem (CID 91099844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).