ethyl 2-[2-[(Z)-2-methoxypent-2-en-3-yl]oxyphenyl]acetate

C16H22O4 — CID 163712361

IUPACethyl 2-[2-[(Z)-2-methoxypent-2-en-3-yl]oxyphenyl]acetate
SMILESCCOC(=O)Cc1ccccc1O/C(CC)=C(/C)OC
InChIInChI=1S/C16H22O4/c1-5-14(12(3)18-4)20-15-10-8-7-9-13(15)11-16(17)19-6-2/h7-10H,5-6,11H2,1-4H3/b14-12-
InChIKeyKKJCUNOUYCHRGN-OWBHPGMISA-N
MW278.35 g/mol
LogP3.46
Rot. Bonds7

About ethyl 2-[2-[(Z)-2-methoxypent-2-en-3-yl]oxyphenyl]acetate

ethyl 2-[2-[(Z)-2-methoxypent-2-en-3-yl]oxyphenyl]acetate (PubChem CID 163712361) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 2-[2-[(Z)-2-methoxypent-2-en-3-yl]oxyphenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(Z)-2-methoxypent-2-en-3-yl]oxyphenyl]acetate
PubChem CID163712361
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Nameethyl 2-[2-[(Z)-2-methoxypent-2-en-3-yl]oxyphenyl]acetate
SMILESCCOC(=O)Cc1ccccc1O/C(CC)=C(/C)OC
InChIInChI=1S/C16H22O4/c1-5-14(12(3)18-4)20-15-10-8-7-9-13(15)11-16(17)19-6-2/h7-10H,5-6,11H2,1-4H3/b14-12-
InChIKeyKKJCUNOUYCHRGN-OWBHPGMISA-N
XLogP3.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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ethyl 2-[2-[(E)-4-bromopent-3-en-2-yl]oxyphenyl]acetate
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ethyl 2-[2-(2-methylbut-3-en-2-yloxy)phenyl]acetate
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2-(2-ethoxy-2-oxoethyl)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(Z)-2-methoxypent-2-en-3-yl]oxyphenyl]acetate?
The IUPAC name of ethyl 2-[2-[(Z)-2-methoxypent-2-en-3-yl]oxyphenyl]acetate (CID 163712361) is ethyl 2-[2-[(Z)-2-methoxypent-2-en-3-yl]oxyphenyl]acetate.
What is the SMILES notation for ethyl 2-[2-[(Z)-2-methoxypent-2-en-3-yl]oxyphenyl]acetate?
The canonical SMILES for ethyl 2-[2-[(Z)-2-methoxypent-2-en-3-yl]oxyphenyl]acetate is CCOC(=O)Cc1ccccc1O/C(CC)=C(/C)OC.
What is the InChIKey of ethyl 2-[2-[(Z)-2-methoxypent-2-en-3-yl]oxyphenyl]acetate?
The InChIKey is KKJCUNOUYCHRGN-OWBHPGMISA-N. The full InChI is InChI=1S/C16H22O4/c1-5-14(12(3)18-4)20-15-10-8-7-9-13(15)11-16(17)19-6-2/h7-10H,5-6,11H2,1-4H3/b14-12-.
What are the key properties of ethyl 2-[2-[(Z)-2-methoxypent-2-en-3-yl]oxyphenyl]acetate?
ethyl 2-[2-[(Z)-2-methoxypent-2-en-3-yl]oxyphenyl]acetate has a molecular weight of 278.35 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(Z)-2-methoxypent-2-en-3-yl]oxyphenyl]acetate is sourced from PubChem (CID 163712361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).