ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate

C19H19ClO3 — CID 5379092

IUPACethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClO3/c1-3-22-19(21)14(2)23-18-12-8-16(9-13-18)5-4-15-6-10-17(20)11-7-15/h4-14H,3H2,1-2H3/b5-4+
InChIKeyIJYSMEKLQUVMJW-SNAWJCMRSA-N
MW330.81 g/mol
LogP4.84
Rot. Bonds6

About ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate

ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate (PubChem CID 5379092) has the molecular formula C19H19ClO3 and a molecular weight of 330.81 g/mol. Its IUPAC name is ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate
PubChem CID5379092
Molecular FormulaC19H19ClO3
Molecular Weight330.81 g/mol
Exact Mass330.10
IUPAC Nameethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClO3/c1-3-22-19(21)14(2)23-18-12-8-16(9-13-18)5-4-15-6-10-17(20)11-7-15/h4-14H,3H2,1-2H3/b5-4+
InChIKeyIJYSMEKLQUVMJW-SNAWJCMRSA-N
XLogP4.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 59993707
CID 59993707
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate
CID 23737520
ethyl (2S,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoate
CID 11436840
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
ethyl (2S)-4-(4-chlorophenyl)-2-hydroxybut-3-enoate
CID 71416635
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate
CID 57054525
1-[2-(4-chlorophenoxy)propanoyloxy]butylphosphonic acid
CID 141174625
ethyl 2-[4-(2,6-dichloro-3-methylphenoxy)phenoxy]propanoate
CID 11245621

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate?
The IUPAC name of ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate (CID 5379092) is ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate?
The canonical SMILES for ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate is CCOC(=O)C(C)Oc1ccc(/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate?
The InChIKey is IJYSMEKLQUVMJW-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H19ClO3/c1-3-22-19(21)14(2)23-18-12-8-16(9-13-18)5-4-15-6-10-17(20)11-7-15/h4-14H,3H2,1-2H3/b5-4+.
What are the key properties of ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate?
ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate has a molecular weight of 330.81 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate is sourced from PubChem (CID 5379092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).