(2S,3S)-5-(methoxymethoxy)-2-[(E)-2-phenylethenyl]pentane-1,3-diol

C15H22O4 — CID 10106980

IUPAC(2S,3S)-5-(methoxymethoxy)-2-[(E)-2-phenylethenyl]pentane-1,3-diol
SMILESCOCOCC[C@H](O)[C@@H](/C=C/c1ccccc1)CO
InChIInChI=1S/C15H22O4/c1-18-12-19-10-9-15(17)14(11-16)8-7-13-5-3-2-4-6-13/h2-8,14-17H,9-12H2,1H3/b8-7+/t14-,15-/m0/s1
InChIKeyHLFYCDJJIIAOAN-JSMHICHCSA-N
MW266.34 g/mol
LogP1.68
Rot. Bonds9

About (2S,3S)-5-(methoxymethoxy)-2-[(E)-2-phenylethenyl]pentane-1,3-diol

(2S,3S)-5-(methoxymethoxy)-2-[(E)-2-phenylethenyl]pentane-1,3-diol (PubChem CID 10106980) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S,3S)-5-(methoxymethoxy)-2-[(E)-2-phenylethenyl]pentane-1,3-diol.

Molecular Properties

Compound Name(2S,3S)-5-(methoxymethoxy)-2-[(E)-2-phenylethenyl]pentane-1,3-diol
PubChem CID10106980
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(2S,3S)-5-(methoxymethoxy)-2-[(E)-2-phenylethenyl]pentane-1,3-diol
SMILESCOCOCC[C@H](O)[C@@H](/C=C/c1ccccc1)CO
InChIInChI=1S/C15H22O4/c1-18-12-19-10-9-15(17)14(11-16)8-7-13-5-3-2-4-6-13/h2-8,14-17H,9-12H2,1H3/b8-7+/t14-,15-/m0/s1
InChIKeyHLFYCDJJIIAOAN-JSMHICHCSA-N
XLogP1.68
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
(E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol
CID 71511914
(E)-2-methyl-5-phenylpent-4-ene-1,3-diol
CID 89050087
[(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene
CID 11310604
[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;propane-1,2,3-triol
CID 121455480
(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile
CID 11052128
(2S)-2-ethyl-4-phenylbut-3-en-1-ol
CID 71353215
(E,1S,3S)-5-[4-(methoxymethoxymethyl)phenyl]-1,3-diphenylpent-4-en-1-ol
CID 102589015
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
4-phenyl-2-sulfanylbut-3-en-1-ol
CID 57241408
3-phenylprop-2-ene-1,1-diol
CID 54432533
methyl (E,2S)-2-(2-methoxyethoxymethyl)-4-phenylbut-3-enoate
CID 135058828

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-5-(methoxymethoxy)-2-[(E)-2-phenylethenyl]pentane-1,3-diol?
The IUPAC name of (2S,3S)-5-(methoxymethoxy)-2-[(E)-2-phenylethenyl]pentane-1,3-diol (CID 10106980) is (2S,3S)-5-(methoxymethoxy)-2-[(E)-2-phenylethenyl]pentane-1,3-diol.
What is the SMILES notation for (2S,3S)-5-(methoxymethoxy)-2-[(E)-2-phenylethenyl]pentane-1,3-diol?
The canonical SMILES for (2S,3S)-5-(methoxymethoxy)-2-[(E)-2-phenylethenyl]pentane-1,3-diol is COCOCC[C@H](O)[C@@H](/C=C/c1ccccc1)CO.
What is the InChIKey of (2S,3S)-5-(methoxymethoxy)-2-[(E)-2-phenylethenyl]pentane-1,3-diol?
The InChIKey is HLFYCDJJIIAOAN-JSMHICHCSA-N. The full InChI is InChI=1S/C15H22O4/c1-18-12-19-10-9-15(17)14(11-16)8-7-13-5-3-2-4-6-13/h2-8,14-17H,9-12H2,1H3/b8-7+/t14-,15-/m0/s1.
What are the key properties of (2S,3S)-5-(methoxymethoxy)-2-[(E)-2-phenylethenyl]pentane-1,3-diol?
(2S,3S)-5-(methoxymethoxy)-2-[(E)-2-phenylethenyl]pentane-1,3-diol has a molecular weight of 266.34 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-5-(methoxymethoxy)-2-[(E)-2-phenylethenyl]pentane-1,3-diol is sourced from PubChem (CID 10106980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).