methyl (E,5R)-5-hydroxy-6-(4-methoxyphenoxy)hex-2-enoate

C14H18O5 — CID 134916379

IUPACmethyl (E,5R)-5-hydroxy-6-(4-methoxyphenoxy)hex-2-enoate
SMILESCOC(=O)/C=C/C[C@@H](O)COc1ccc(OC)cc1
InChIInChI=1S/C14H18O5/c1-17-12-6-8-13(9-7-12)19-10-11(15)4-3-5-14(16)18-2/h3,5-9,11,15H,4,10H2,1-2H3/b5-3+/t11-/m1/s1
InChIKeyVODKHJWBIVBDKM-JOAKQRRISA-N
MW266.29 g/mol
LogP1.55
Rot. Bonds7

About methyl (E,5R)-5-hydroxy-6-(4-methoxyphenoxy)hex-2-enoate

methyl (E,5R)-5-hydroxy-6-(4-methoxyphenoxy)hex-2-enoate (PubChem CID 134916379) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is methyl (E,5R)-5-hydroxy-6-(4-methoxyphenoxy)hex-2-enoate.

Molecular Properties

Compound Namemethyl (E,5R)-5-hydroxy-6-(4-methoxyphenoxy)hex-2-enoate
PubChem CID134916379
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namemethyl (E,5R)-5-hydroxy-6-(4-methoxyphenoxy)hex-2-enoate
SMILESCOC(=O)/C=C/C[C@@H](O)COc1ccc(OC)cc1
InChIInChI=1S/C14H18O5/c1-17-12-6-8-13(9-7-12)19-10-11(15)4-3-5-14(16)18-2/h3,5-9,11,15H,4,10H2,1-2H3/b5-3+/t11-/m1/s1
InChIKeyVODKHJWBIVBDKM-JOAKQRRISA-N
XLogP1.55
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(4-methoxyphenoxy)hex-4-en-2-ol
CID 11843754
1-[4-(2,3-dihydroxypropoxy)phenyl]-3-(4-methoxyphenyl)propane-1,3-dione
CID 139606541
methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate
CID 60904602
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium
CID 6922817
methyl 4-(4-methoxyphenyl)-5-oxopenta-2,4-dienoate
CID 141334918
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]oxyacetamide
CID 112673778
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
methyl 2-bromo-3-(4-methoxyphenoxy)propanoate
CID 81091606
methyl (E,5R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]hex-2-enoate
CID 11234824
1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635112

Frequently Asked Questions

What is the IUPAC name of methyl (E,5R)-5-hydroxy-6-(4-methoxyphenoxy)hex-2-enoate?
The IUPAC name of methyl (E,5R)-5-hydroxy-6-(4-methoxyphenoxy)hex-2-enoate (CID 134916379) is methyl (E,5R)-5-hydroxy-6-(4-methoxyphenoxy)hex-2-enoate.
What is the SMILES notation for methyl (E,5R)-5-hydroxy-6-(4-methoxyphenoxy)hex-2-enoate?
The canonical SMILES for methyl (E,5R)-5-hydroxy-6-(4-methoxyphenoxy)hex-2-enoate is COC(=O)/C=C/C[C@@H](O)COc1ccc(OC)cc1.
What is the InChIKey of methyl (E,5R)-5-hydroxy-6-(4-methoxyphenoxy)hex-2-enoate?
The InChIKey is VODKHJWBIVBDKM-JOAKQRRISA-N. The full InChI is InChI=1S/C14H18O5/c1-17-12-6-8-13(9-7-12)19-10-11(15)4-3-5-14(16)18-2/h3,5-9,11,15H,4,10H2,1-2H3/b5-3+/t11-/m1/s1.
What are the key properties of methyl (E,5R)-5-hydroxy-6-(4-methoxyphenoxy)hex-2-enoate?
methyl (E,5R)-5-hydroxy-6-(4-methoxyphenoxy)hex-2-enoate has a molecular weight of 266.29 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,5R)-5-hydroxy-6-(4-methoxyphenoxy)hex-2-enoate is sourced from PubChem (CID 134916379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).