(E)-1-[3-(methoxymethyl)phenyl]hex-3-en-2-ol

C14H20O2 — CID 71012788

IUPAC(E)-1-[3-(methoxymethyl)phenyl]hex-3-en-2-ol
SMILESCC/C=C/C(O)Cc1cccc(COC)c1
InChIInChI=1S/C14H20O2/c1-3-4-8-14(15)10-12-6-5-7-13(9-12)11-16-2/h4-9,14-15H,3,10-11H2,1-2H3/b8-4+
InChIKeyLJVVOPLYNOQYJV-XBXARRHUSA-N
MW220.31 g/mol
LogP2.70
Rot. Bonds6

About (E)-1-[3-(methoxymethyl)phenyl]hex-3-en-2-ol

(E)-1-[3-(methoxymethyl)phenyl]hex-3-en-2-ol (PubChem CID 71012788) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (E)-1-[3-(methoxymethyl)phenyl]hex-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-[3-(methoxymethyl)phenyl]hex-3-en-2-ol
PubChem CID71012788
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(E)-1-[3-(methoxymethyl)phenyl]hex-3-en-2-ol
SMILESCC/C=C/C(O)Cc1cccc(COC)c1
InChIInChI=1S/C14H20O2/c1-3-4-8-14(15)10-12-6-5-7-13(9-12)11-16-2/h4-9,14-15H,3,10-11H2,1-2H3/b8-4+
InChIKeyLJVVOPLYNOQYJV-XBXARRHUSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 7-[[(E,4S)-4-hydroxy-5-[3-(methoxymethyl)phenyl]pent-2-enyl]-methylsulfonylamino]heptanoate
CID 56834434
2-bromo-1-[3-(methoxymethyl)phenyl]hexan-3-one
CID 62395729
1-ethyl-3-(methoxymethyl)benzene
CID 54065687
1-but-2-enyl-3-(methoxymethyl)benzene
CID 175299095
ethyl 4-[2-[(1R,2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxocyclopentyl]ethylsulfanyl]butanoate
CID 68979814
ethyl 4-[2-[3-hydroxy-2-[3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxocyclopentyl]ethylsulfanyl]butanoate
CID 74047102
(2R,3R,4R)-4-hydroxy-3-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-2-[2-[4-(hydroxymethyl)phenyl]ethyl]cyclopentan-1-one
CID 10202607
(1S,2R,3R,4R)-2-heptyl-3-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-4-tritiophosphanyloxycyclopentan-1-ol
CID 59075789
1-[3-(methoxymethyl)phenyl]-2-methylbutan-1-ol
CID 79446126
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
methyl 4-[2-[(1R,2R,3R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]cyclopentyl]ethoxy]butanoate
CID 167027915
3-[3-(methoxymethyl)phenyl]propan-1-ol
CID 117278462

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-(methoxymethyl)phenyl]hex-3-en-2-ol?
The IUPAC name of (E)-1-[3-(methoxymethyl)phenyl]hex-3-en-2-ol (CID 71012788) is (E)-1-[3-(methoxymethyl)phenyl]hex-3-en-2-ol.
What is the SMILES notation for (E)-1-[3-(methoxymethyl)phenyl]hex-3-en-2-ol?
The canonical SMILES for (E)-1-[3-(methoxymethyl)phenyl]hex-3-en-2-ol is CC/C=C/C(O)Cc1cccc(COC)c1.
What is the InChIKey of (E)-1-[3-(methoxymethyl)phenyl]hex-3-en-2-ol?
The InChIKey is LJVVOPLYNOQYJV-XBXARRHUSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-4-8-14(15)10-12-6-5-7-13(9-12)11-16-2/h4-9,14-15H,3,10-11H2,1-2H3/b8-4+.
What are the key properties of (E)-1-[3-(methoxymethyl)phenyl]hex-3-en-2-ol?
(E)-1-[3-(methoxymethyl)phenyl]hex-3-en-2-ol has a molecular weight of 220.31 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-(methoxymethyl)phenyl]hex-3-en-2-ol is sourced from PubChem (CID 71012788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).