methyl (2E,4Z)-4-(hydroxymethyl)-6-phenylmethoxyhexa-2,4-dienoate

C15H18O4 — CID 11097355

IUPACmethyl (2E,4Z)-4-(hydroxymethyl)-6-phenylmethoxyhexa-2,4-dienoate
SMILESCOC(=O)/C=C/C(=C/COCc1ccccc1)CO
InChIInChI=1S/C15H18O4/c1-18-15(17)8-7-13(11-16)9-10-19-12-14-5-3-2-4-6-14/h2-9,16H,10-12H2,1H3/b8-7+,13-9-
InChIKeyYSHUYNXZUJYOSI-UFVXJIOISA-N
MW262.31 g/mol
LogP1.85
Rot. Bonds7

About methyl (2E,4Z)-4-(hydroxymethyl)-6-phenylmethoxyhexa-2,4-dienoate

methyl (2E,4Z)-4-(hydroxymethyl)-6-phenylmethoxyhexa-2,4-dienoate (PubChem CID 11097355) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl (2E,4Z)-4-(hydroxymethyl)-6-phenylmethoxyhexa-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4Z)-4-(hydroxymethyl)-6-phenylmethoxyhexa-2,4-dienoate
PubChem CID11097355
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Namemethyl (2E,4Z)-4-(hydroxymethyl)-6-phenylmethoxyhexa-2,4-dienoate
SMILESCOC(=O)/C=C/C(=C/COCc1ccccc1)CO
InChIInChI=1S/C15H18O4/c1-18-15(17)8-7-13(11-16)9-10-19-12-14-5-3-2-4-6-14/h2-9,16H,10-12H2,1H3/b8-7+,13-9-
InChIKeyYSHUYNXZUJYOSI-UFVXJIOISA-N
XLogP1.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2E,4Z)-6-(methoxymethoxy)-4-(phenylmethoxymethyl)hexa-2,4-dienoate
CID 11808935
[(E)-3-methylpent-2-enoxy]methylbenzene
CID 12622244
(E)-3-iodo-5-phenylmethoxypent-3-enoic acid
CID 134967985
methyl (E,4R)-4-methylsulfonyloxy-6-phenylmethoxyhex-2-enoate
CID 10449166
(2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol
CID 11163277
methyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate
CID 10827220
(E)-5-phenylmethoxypent-3-en-2-one
CID 11095410
methyl (Z,4R)-4-phenylmethoxypent-2-enoate
CID 10082195
3-bromobut-2-enoxymethylbenzene
CID 85427694
methyl (E)-3-(dibenzylamino)prop-2-enoate
CID 5382919
[(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene
CID 11572215
4-O-[[4-[[(Z)-4-methoxy-4-oxobut-2-enoyl]oxymethyl]phenyl]methyl] 1-O-methyl (Z)-but-2-enedioate
CID 102439489

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4Z)-4-(hydroxymethyl)-6-phenylmethoxyhexa-2,4-dienoate?
The IUPAC name of methyl (2E,4Z)-4-(hydroxymethyl)-6-phenylmethoxyhexa-2,4-dienoate (CID 11097355) is methyl (2E,4Z)-4-(hydroxymethyl)-6-phenylmethoxyhexa-2,4-dienoate.
What is the SMILES notation for methyl (2E,4Z)-4-(hydroxymethyl)-6-phenylmethoxyhexa-2,4-dienoate?
The canonical SMILES for methyl (2E,4Z)-4-(hydroxymethyl)-6-phenylmethoxyhexa-2,4-dienoate is COC(=O)/C=C/C(=C/COCc1ccccc1)CO.
What is the InChIKey of methyl (2E,4Z)-4-(hydroxymethyl)-6-phenylmethoxyhexa-2,4-dienoate?
The InChIKey is YSHUYNXZUJYOSI-UFVXJIOISA-N. The full InChI is InChI=1S/C15H18O4/c1-18-15(17)8-7-13(11-16)9-10-19-12-14-5-3-2-4-6-14/h2-9,16H,10-12H2,1H3/b8-7+,13-9-.
What are the key properties of methyl (2E,4Z)-4-(hydroxymethyl)-6-phenylmethoxyhexa-2,4-dienoate?
methyl (2E,4Z)-4-(hydroxymethyl)-6-phenylmethoxyhexa-2,4-dienoate has a molecular weight of 262.31 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4Z)-4-(hydroxymethyl)-6-phenylmethoxyhexa-2,4-dienoate is sourced from PubChem (CID 11097355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).