1-methoxy-2-[(E)-oct-6-en-4-yl]benzene

C15H22O — CID 142273894

IUPAC1-methoxy-2-[(E)-oct-6-en-4-yl]benzene
SMILESC/C=C/CC(CCC)c1ccccc1OC
InChIInChI=1S/C15H22O/c1-4-6-10-13(9-5-2)14-11-7-8-12-15(14)16-3/h4,6-8,11-13H,5,9-10H2,1-3H3/b6-4+
InChIKeyHOSUPVICPBYRBG-GQCTYLIASA-N
MW218.34 g/mol
LogP4.55
Rot. Bonds6

About 1-methoxy-2-[(E)-oct-6-en-4-yl]benzene

1-methoxy-2-[(E)-oct-6-en-4-yl]benzene (PubChem CID 142273894) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-methoxy-2-[(E)-oct-6-en-4-yl]benzene.

Molecular Properties

Compound Name1-methoxy-2-[(E)-oct-6-en-4-yl]benzene
PubChem CID142273894
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-methoxy-2-[(E)-oct-6-en-4-yl]benzene
SMILESC/C=C/CC(CCC)c1ccccc1OC
InChIInChI=1S/C15H22O/c1-4-6-10-13(9-5-2)14-11-7-8-12-15(14)16-3/h4,6-8,11-13H,5,9-10H2,1-3H3/b6-4+
InChIKeyHOSUPVICPBYRBG-GQCTYLIASA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-hept-5-en-3-yl]-2-(2-methylpropoxy)benzene
CID 83932482
1,4-dimethoxy-2-[(Z)-non-6-en-4-yl]benzene
CID 83938271
1-hex-5-en-3-yl-2-methoxybenzene
CID 83929060
2-(2-methoxyphenyl)hexan-1-amine
CID 84753039
3-(2-methoxyphenyl)pentane-1,5-diol
CID 51050570
1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 115792570
1-bromo-4-[1-(2-methoxyphenyl)butyl]benzene
CID 58302960
2-methoxy-1-(2-methoxyphenyl)pentan-1-amine
CID 116718510
2-ethoxy-6-[(Z)-hex-4-en-2-yl]phenol
CID 83930787
N-ethyl-2-(2-methoxyphenyl)hexan-3-amine
CID 83050697
2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene
CID 83933072
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 81397104

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[(E)-oct-6-en-4-yl]benzene?
The IUPAC name of 1-methoxy-2-[(E)-oct-6-en-4-yl]benzene (CID 142273894) is 1-methoxy-2-[(E)-oct-6-en-4-yl]benzene.
What is the SMILES notation for 1-methoxy-2-[(E)-oct-6-en-4-yl]benzene?
The canonical SMILES for 1-methoxy-2-[(E)-oct-6-en-4-yl]benzene is C/C=C/CC(CCC)c1ccccc1OC.
What is the InChIKey of 1-methoxy-2-[(E)-oct-6-en-4-yl]benzene?
The InChIKey is HOSUPVICPBYRBG-GQCTYLIASA-N. The full InChI is InChI=1S/C15H22O/c1-4-6-10-13(9-5-2)14-11-7-8-12-15(14)16-3/h4,6-8,11-13H,5,9-10H2,1-3H3/b6-4+.
What are the key properties of 1-methoxy-2-[(E)-oct-6-en-4-yl]benzene?
1-methoxy-2-[(E)-oct-6-en-4-yl]benzene has a molecular weight of 218.34 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[(E)-oct-6-en-4-yl]benzene is sourced from PubChem (CID 142273894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).