[(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate

C17H13ClO2 — CID 11173647

IUPAC[(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)O/C(Cl)=C\c1ccccc1
InChIInChI=1S/C17H13ClO2/c18-16(13-15-9-5-2-6-10-15)20-17(19)12-11-14-7-3-1-4-8-14/h1-13H/b12-11+,16-13-
InChIKeyDQEFJZQCGBCMIZ-SSLWBDRLSA-N
MW284.74 g/mol
LogP4.48
Rot. Bonds4

About [(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate

[(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate (PubChem CID 11173647) has the molecular formula C17H13ClO2 and a molecular weight of 284.74 g/mol. Its IUPAC name is [(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate
PubChem CID11173647
Molecular FormulaC17H13ClO2
Molecular Weight284.74 g/mol
Exact Mass284.06
IUPAC Name[(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)O/C(Cl)=C\c1ccccc1
InChIInChI=1S/C17H13ClO2/c18-16(13-15-9-5-2-6-10-15)20-17(19)12-11-14-7-3-1-4-8-14/h1-13H/b12-11+,16-13-
InChIKeyDQEFJZQCGBCMIZ-SSLWBDRLSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1,2-diphenylethenyl 3-phenylprop-2-enoate
CID 90922275
[(Z)-1-chloro-2-phenylethenyl] acetate
CID 101229126
acetyl 3-phenylprop-2-enoate
CID 57206996
amino 3-phenylprop-2-enoate
CID 67189797
lanthanum;(E)-3-phenylprop-2-eneperoxoic acid
CID 122589716
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
2-phenylethenyl 3-phenylprop-2-enoate
CID 56982570
2,3-dihydroxy-4-oxo-4-(3-phenylprop-2-enoyloxy)butanoic acid
CID 161032725
2-[3-oxo-3-(3-phenylprop-2-enoyloxy)prop-1-enyl]benzoic acid
CID 173274386
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
(2,3,4,5,6-pentafluorophenyl) 3-phenylprop-2-enoate
CID 72966102

Frequently Asked Questions

What is the IUPAC name of [(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate (CID 11173647) is [(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)O/C(Cl)=C\c1ccccc1.
What is the InChIKey of [(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate?
The InChIKey is DQEFJZQCGBCMIZ-SSLWBDRLSA-N. The full InChI is InChI=1S/C17H13ClO2/c18-16(13-15-9-5-2-6-10-15)20-17(19)12-11-14-7-3-1-4-8-14/h1-13H/b12-11+,16-13-.
What are the key properties of [(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate?
[(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate has a molecular weight of 284.74 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 11173647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).