4-[(E)-2-[4-(methoxymethyl)phenyl]ethenoxy]butan-1-ol

C14H20O3 — CID 134275192

IUPAC4-[(E)-2-[4-(methoxymethyl)phenyl]ethenoxy]butan-1-ol
SMILESCOCc1ccc(/C=C/OCCCCO)cc1
InChIInChI=1S/C14H20O3/c1-16-12-14-6-4-13(5-7-14)8-11-17-10-3-2-9-15/h4-8,11,15H,2-3,9-10,12H2,1H3/b11-8+
InChIKeyZUXSHNAGNOODBW-DHZHZOJOSA-N
MW236.31 g/mol
LogP2.59
Rot. Bonds8

About 4-[(E)-2-[4-(methoxymethyl)phenyl]ethenoxy]butan-1-ol

4-[(E)-2-[4-(methoxymethyl)phenyl]ethenoxy]butan-1-ol (PubChem CID 134275192) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[(E)-2-[4-(methoxymethyl)phenyl]ethenoxy]butan-1-ol.

Molecular Properties

Compound Name4-[(E)-2-[4-(methoxymethyl)phenyl]ethenoxy]butan-1-ol
PubChem CID134275192
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-[(E)-2-[4-(methoxymethyl)phenyl]ethenoxy]butan-1-ol
SMILESCOCc1ccc(/C=C/OCCCCO)cc1
InChIInChI=1S/C14H20O3/c1-16-12-14-6-4-13(5-7-14)8-11-17-10-3-2-9-15/h4-8,11,15H,2-3,9-10,12H2,1H3/b11-8+
InChIKeyZUXSHNAGNOODBW-DHZHZOJOSA-N
XLogP2.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(methoxymethyl)phenyl]ethenoxy]butan-1-ol?
The IUPAC name of 4-[(E)-2-[4-(methoxymethyl)phenyl]ethenoxy]butan-1-ol (CID 134275192) is 4-[(E)-2-[4-(methoxymethyl)phenyl]ethenoxy]butan-1-ol.
What is the SMILES notation for 4-[(E)-2-[4-(methoxymethyl)phenyl]ethenoxy]butan-1-ol?
The canonical SMILES for 4-[(E)-2-[4-(methoxymethyl)phenyl]ethenoxy]butan-1-ol is COCc1ccc(/C=C/OCCCCO)cc1.
What is the InChIKey of 4-[(E)-2-[4-(methoxymethyl)phenyl]ethenoxy]butan-1-ol?
The InChIKey is ZUXSHNAGNOODBW-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H20O3/c1-16-12-14-6-4-13(5-7-14)8-11-17-10-3-2-9-15/h4-8,11,15H,2-3,9-10,12H2,1H3/b11-8+.
What are the key properties of 4-[(E)-2-[4-(methoxymethyl)phenyl]ethenoxy]butan-1-ol?
4-[(E)-2-[4-(methoxymethyl)phenyl]ethenoxy]butan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(methoxymethyl)phenyl]ethenoxy]butan-1-ol is sourced from PubChem (CID 134275192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).