ethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate

C15H18O3 — CID 10752945

IUPACethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate
SMILESC=C(CC(O)/C=C/c1ccccc1)C(=O)OCC
InChIInChI=1S/C15H18O3/c1-3-18-15(17)12(2)11-14(16)10-9-13-7-5-4-6-8-13/h4-10,14,16H,2-3,11H2,1H3/b10-9+
InChIKeyVOYPEONIFSJPBS-MDZDMXLPSA-N
MW246.31 g/mol
LogP2.57
Rot. Bonds6

About ethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate

ethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate (PubChem CID 10752945) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate.

Molecular Properties

Compound Nameethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate
PubChem CID10752945
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Nameethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate
SMILESC=C(CC(O)/C=C/c1ccccc1)C(=O)OCC
InChIInChI=1S/C15H18O3/c1-3-18-15(17)12(2)11-14(16)10-9-13-7-5-4-6-8-13/h4-10,14,16H,2-3,11H2,1H3/b10-9+
InChIKeyVOYPEONIFSJPBS-MDZDMXLPSA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate
CID 54174138
ethyl (4R)-4-hydroxy-2-methylidene-4-phenylbutanoate
CID 101053661
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
ethyl 2-methylidene-4-phenylbut-3-enoate
CID 54282000
ethyl (4R)-4-hydroxy-2-methylidene-5-phenoxypentanoate
CID 162410416
ethyl acetate;stilbene
CID 159556390
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
ethyl (E,3S,4R)-3-acetyloxy-4-methyl-6-phenylhex-5-enoate
CID 11392142
ethyl (E,2S)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 56851553
ethyl (E)-2-ethenylidene-5-phenylpent-4-enoate
CID 101441140
ethyl (4R)-4-acetyloxy-2-methylidene-4-phenylbutanoate
CID 11207729
ethyl (6E)-5-hydroxy-2-methyl-4,7-diphenylhepta-2,3,6-trienoate
CID 24778352

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate?
The IUPAC name of ethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate (CID 10752945) is ethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate.
What is the SMILES notation for ethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate?
The canonical SMILES for ethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate is C=C(CC(O)/C=C/c1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate?
The InChIKey is VOYPEONIFSJPBS-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H18O3/c1-3-18-15(17)12(2)11-14(16)10-9-13-7-5-4-6-8-13/h4-10,14,16H,2-3,11H2,1H3/b10-9+.
What are the key properties of ethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate?
ethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate has a molecular weight of 246.31 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-hydroxy-2-methylidene-6-phenylhex-5-enoate is sourced from PubChem (CID 10752945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).