(E)-1-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol

C14H20O3 — CID 118194730

IUPAC(E)-1-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
SMILESCCCC(O)/C=C/OCc1ccc(OC)cc1
InChIInChI=1S/C14H20O3/c1-3-4-13(15)9-10-17-11-12-5-7-14(16-2)8-6-12/h5-10,13,15H,3-4,11H2,1-2H3/b10-9+
InChIKeyUMSOBTJLUMLFQC-MDZDMXLPSA-N
MW236.31 g/mol
LogP2.89
Rot. Bonds7

About (E)-1-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol

(E)-1-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol (PubChem CID 118194730) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (E)-1-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol.

Molecular Properties

Compound Name(E)-1-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
PubChem CID118194730
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(E)-1-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
SMILESCCCC(O)/C=C/OCc1ccc(OC)cc1
InChIInChI=1S/C14H20O3/c1-3-4-13(15)9-10-17-11-12-5-7-14(16-2)8-6-12/h5-10,13,15H,3-4,11H2,1-2H3/b10-9+
InChIKeyUMSOBTJLUMLFQC-MDZDMXLPSA-N
XLogP2.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-[(4-methoxyphenyl)methoxy]oct-1-en-3-ol
CID 10587712
(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]hex-1-en-3-ol
CID 11324417
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
(E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol
CID 10084181
1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol
CID 115719297
(E,2S)-4-iodo-1-[(4-methoxyphenyl)methoxy]but-3-en-2-ol
CID 56651391
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
(2S)-2-[3-(4-methoxyphenyl)propanoylamino]pentanoic acid
CID 107563743
(3R)-6-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 24864257
1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
3-[(4-methoxyphenyl)methylamino]pentan-1-ol
CID 111449217
(3S)-1-[(4-methoxyphenyl)methoxy]hexa-4,5-dien-3-ol
CID 11770384

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol?
The IUPAC name of (E)-1-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol (CID 118194730) is (E)-1-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol.
What is the SMILES notation for (E)-1-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol?
The canonical SMILES for (E)-1-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol is CCCC(O)/C=C/OCc1ccc(OC)cc1.
What is the InChIKey of (E)-1-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol?
The InChIKey is UMSOBTJLUMLFQC-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-4-13(15)9-10-17-11-12-5-7-14(16-2)8-6-12/h5-10,13,15H,3-4,11H2,1-2H3/b10-9+.
What are the key properties of (E)-1-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol?
(E)-1-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol has a molecular weight of 236.31 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol is sourced from PubChem (CID 118194730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).