(E)-3-[2-(2-phenylmethoxyethyl)phenyl]prop-2-enal

C18H18O2 — CID 53387064

IUPAC(E)-3-[2-(2-phenylmethoxyethyl)phenyl]prop-2-enal
SMILESO=C/C=C/c1ccccc1CCOCc1ccccc1
InChIInChI=1S/C18H18O2/c19-13-6-11-17-9-4-5-10-18(17)12-14-20-15-16-7-2-1-3-8-16/h1-11,13H,12,14-15H2/b11-6+
InChIKeyPIIIHESRHTUYQT-IZZDOVSWSA-N
MW266.34 g/mol
LogP3.66
Rot. Bonds7

About (E)-3-[2-(2-phenylmethoxyethyl)phenyl]prop-2-enal

(E)-3-[2-(2-phenylmethoxyethyl)phenyl]prop-2-enal (PubChem CID 53387064) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (E)-3-[2-(2-phenylmethoxyethyl)phenyl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[2-(2-phenylmethoxyethyl)phenyl]prop-2-enal
PubChem CID53387064
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(E)-3-[2-(2-phenylmethoxyethyl)phenyl]prop-2-enal
SMILESO=C/C=C/c1ccccc1CCOCc1ccccc1
InChIInChI=1S/C18H18O2/c19-13-6-11-17-9-4-5-10-18(17)12-14-20-15-16-7-2-1-3-8-16/h1-11,13H,12,14-15H2/b11-6+
InChIKeyPIIIHESRHTUYQT-IZZDOVSWSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[2-(phenylmethoxymethyl)phenyl]prop-2-enal
CID 53386913
(E)-3-(2-pentylphenyl)prop-2-enal
CID 22717371
CID 135072991
CID 135072991
1-(2-phenylmethoxyethyl)naphthalene
CID 71507589
4-phenylmethoxybut-2-enal
CID 56616610
2-[2-(3-oxoprop-1-enyl)phenyl]acetonitrile
CID 54059899
(2E,4E)-6-phenylmethoxyhexa-2,4-dienal
CID 101487921
2-(3-phenylmethoxypropoxy)acetaldehyde
CID 135080827
(2S)-2-methyl-5-phenylmethoxypentanal
CID 11218003
(2E,4E)-5-[2-[5-[tert-butyl(diphenyl)silyl]oxypentyl]phenyl]penta-2,4-dienal
CID 15067574
(Z)-4-phenylmethoxybut-2-enal;(Z)-4-phenylmethoxybut-2-en-1-ol
CID 165000791
1-benzyl-3-[3-benzyl-2-(2-phenylmethoxyethyl)phenoxy]-2-(2-phenylmethoxyethyl)benzene
CID 140993797

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(2-phenylmethoxyethyl)phenyl]prop-2-enal?
The IUPAC name of (E)-3-[2-(2-phenylmethoxyethyl)phenyl]prop-2-enal (CID 53387064) is (E)-3-[2-(2-phenylmethoxyethyl)phenyl]prop-2-enal.
What is the SMILES notation for (E)-3-[2-(2-phenylmethoxyethyl)phenyl]prop-2-enal?
The canonical SMILES for (E)-3-[2-(2-phenylmethoxyethyl)phenyl]prop-2-enal is O=C/C=C/c1ccccc1CCOCc1ccccc1.
What is the InChIKey of (E)-3-[2-(2-phenylmethoxyethyl)phenyl]prop-2-enal?
The InChIKey is PIIIHESRHTUYQT-IZZDOVSWSA-N. The full InChI is InChI=1S/C18H18O2/c19-13-6-11-17-9-4-5-10-18(17)12-14-20-15-16-7-2-1-3-8-16/h1-11,13H,12,14-15H2/b11-6+.
What are the key properties of (E)-3-[2-(2-phenylmethoxyethyl)phenyl]prop-2-enal?
(E)-3-[2-(2-phenylmethoxyethyl)phenyl]prop-2-enal has a molecular weight of 266.34 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(2-phenylmethoxyethyl)phenyl]prop-2-enal is sourced from PubChem (CID 53387064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).