ethyl 2-hydroxy-6-phenylhex-5-enoate

C14H18O3 — CID 69249152

IUPACethyl 2-hydroxy-6-phenylhex-5-enoate
SMILESCCOC(=O)C(O)CCC=Cc1ccccc1
InChIInChI=1S/C14H18O3/c1-2-17-14(16)13(15)11-7-6-10-12-8-4-3-5-9-12/h3-6,8-10,13,15H,2,7,11H2,1H3
InChIKeyCPRZLUGAGKTMBY-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.40
Rot. Bonds6

About ethyl 2-hydroxy-6-phenylhex-5-enoate

ethyl 2-hydroxy-6-phenylhex-5-enoate (PubChem CID 69249152) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is ethyl 2-hydroxy-6-phenylhex-5-enoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-6-phenylhex-5-enoate
PubChem CID69249152
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Nameethyl 2-hydroxy-6-phenylhex-5-enoate
SMILESCCOC(=O)C(O)CCC=Cc1ccccc1
InChIInChI=1S/C14H18O3/c1-2-17-14(16)13(15)11-7-6-10-12-8-4-3-5-9-12/h3-6,8-10,13,15H,2,7,11H2,1H3
InChIKeyCPRZLUGAGKTMBY-UHFFFAOYSA-N
XLogP2.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (E,2S)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 56851553
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
ethyl (E)-7-phenylhept-6-enoate
CID 134964924
ethyl (E)-3-[(Z)-4-phenylbut-3-enoxy]but-2-enoate
CID 71505275
ethyl acetate;stilbene
CID 159556390
ethyl (E)-8-phenyloct-7-enoate
CID 139263664
[(E)-5,5-diethoxypent-1-enyl]benzene
CID 21423476
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
diethyl 2-[[(E)-4-phenylbut-3-enyl]carbamoyl]butanedioate
CID 14547771
ethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate
CID 129408619
ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate
CID 76932222
ethyl 2-cyano-5-phenylpent-4-enoate
CID 72737820

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-6-phenylhex-5-enoate?
The IUPAC name of ethyl 2-hydroxy-6-phenylhex-5-enoate (CID 69249152) is ethyl 2-hydroxy-6-phenylhex-5-enoate.
What is the SMILES notation for ethyl 2-hydroxy-6-phenylhex-5-enoate?
The canonical SMILES for ethyl 2-hydroxy-6-phenylhex-5-enoate is CCOC(=O)C(O)CCC=Cc1ccccc1.
What is the InChIKey of ethyl 2-hydroxy-6-phenylhex-5-enoate?
The InChIKey is CPRZLUGAGKTMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-17-14(16)13(15)11-7-6-10-12-8-4-3-5-9-12/h3-6,8-10,13,15H,2,7,11H2,1H3.
What are the key properties of ethyl 2-hydroxy-6-phenylhex-5-enoate?
ethyl 2-hydroxy-6-phenylhex-5-enoate has a molecular weight of 234.29 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-6-phenylhex-5-enoate is sourced from PubChem (CID 69249152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).