1-methoxy-2-[(5E)-4-methylhepta-2,3,5-trien-2-yl]benzene

C15H18O — CID 53467214

IUPAC1-methoxy-2-[(5E)-4-methylhepta-2,3,5-trien-2-yl]benzene
SMILESC/C=C/C(C)=C=C(C)c1ccccc1OC
InChIInChI=1S/C15H18O/c1-5-8-12(2)11-13(3)14-9-6-7-10-15(14)16-4/h5-10H,1-4H3/b8-5+
InChIKeyYNZBHQAMXZRUBS-VMPITWQZSA-N
MW214.31 g/mol
LogP4.22
Rot. Bonds3

About 1-methoxy-2-[(5E)-4-methylhepta-2,3,5-trien-2-yl]benzene

1-methoxy-2-[(5E)-4-methylhepta-2,3,5-trien-2-yl]benzene (PubChem CID 53467214) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-methoxy-2-[(5E)-4-methylhepta-2,3,5-trien-2-yl]benzene.

Molecular Properties

Compound Name1-methoxy-2-[(5E)-4-methylhepta-2,3,5-trien-2-yl]benzene
PubChem CID53467214
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1-methoxy-2-[(5E)-4-methylhepta-2,3,5-trien-2-yl]benzene
SMILESC/C=C/C(C)=C=C(C)c1ccccc1OC
InChIInChI=1S/C15H18O/c1-5-8-12(2)11-13(3)14-9-6-7-10-15(14)16-4/h5-10H,1-4H3/b8-5+
InChIKeyYNZBHQAMXZRUBS-VMPITWQZSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[(5E)-4-methylhepta-2,3,5-trien-2-yl]benzene?
The IUPAC name of 1-methoxy-2-[(5E)-4-methylhepta-2,3,5-trien-2-yl]benzene (CID 53467214) is 1-methoxy-2-[(5E)-4-methylhepta-2,3,5-trien-2-yl]benzene.
What is the SMILES notation for 1-methoxy-2-[(5E)-4-methylhepta-2,3,5-trien-2-yl]benzene?
The canonical SMILES for 1-methoxy-2-[(5E)-4-methylhepta-2,3,5-trien-2-yl]benzene is C/C=C/C(C)=C=C(C)c1ccccc1OC.
What is the InChIKey of 1-methoxy-2-[(5E)-4-methylhepta-2,3,5-trien-2-yl]benzene?
The InChIKey is YNZBHQAMXZRUBS-VMPITWQZSA-N. The full InChI is InChI=1S/C15H18O/c1-5-8-12(2)11-13(3)14-9-6-7-10-15(14)16-4/h5-10H,1-4H3/b8-5+.
What are the key properties of 1-methoxy-2-[(5E)-4-methylhepta-2,3,5-trien-2-yl]benzene?
1-methoxy-2-[(5E)-4-methylhepta-2,3,5-trien-2-yl]benzene has a molecular weight of 214.31 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[(5E)-4-methylhepta-2,3,5-trien-2-yl]benzene is sourced from PubChem (CID 53467214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).