2-methoxy-1-pentoxy-4-[(E)-prop-1-enyl]benzene

C15H22O2 — CID 6437735

IUPAC2-methoxy-1-pentoxy-4-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccc(OCCCCC)c(OC)c1
InChIInChI=1S/C15H22O2/c1-4-6-7-11-17-14-10-9-13(8-5-2)12-15(14)16-3/h5,8-10,12H,4,6-7,11H2,1-3H3/b8-5+
InChIKeyIKJFIKIKJWLIQS-VMPITWQZSA-N
MW234.34 g/mol
LogP4.30
Rot. Bonds7

About 2-methoxy-1-pentoxy-4-[(E)-prop-1-enyl]benzene

2-methoxy-1-pentoxy-4-[(E)-prop-1-enyl]benzene (PubChem CID 6437735) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-methoxy-1-pentoxy-4-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Name2-methoxy-1-pentoxy-4-[(E)-prop-1-enyl]benzene
PubChem CID6437735
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-methoxy-1-pentoxy-4-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccc(OCCCCC)c(OC)c1
InChIInChI=1S/C15H22O2/c1-4-6-7-11-17-14-10-9-13(8-5-2)12-15(14)16-3/h5,8-10,12H,4,6-7,11H2,1-3H3/b8-5+
InChIKeyIKJFIKIKJWLIQS-VMPITWQZSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-pentoxy-4-[(E)-prop-1-enyl]benzene?
The IUPAC name of 2-methoxy-1-pentoxy-4-[(E)-prop-1-enyl]benzene (CID 6437735) is 2-methoxy-1-pentoxy-4-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for 2-methoxy-1-pentoxy-4-[(E)-prop-1-enyl]benzene?
The canonical SMILES for 2-methoxy-1-pentoxy-4-[(E)-prop-1-enyl]benzene is C/C=C/c1ccc(OCCCCC)c(OC)c1.
What is the InChIKey of 2-methoxy-1-pentoxy-4-[(E)-prop-1-enyl]benzene?
The InChIKey is IKJFIKIKJWLIQS-VMPITWQZSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-6-7-11-17-14-10-9-13(8-5-2)12-15(14)16-3/h5,8-10,12H,4,6-7,11H2,1-3H3/b8-5+.
What are the key properties of 2-methoxy-1-pentoxy-4-[(E)-prop-1-enyl]benzene?
2-methoxy-1-pentoxy-4-[(E)-prop-1-enyl]benzene has a molecular weight of 234.34 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-pentoxy-4-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 6437735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).