1-methoxy-3-[(Z)-non-6-en-4-yl]benzene

C16H24O — CID 83928970

IUPAC1-methoxy-3-[(Z)-non-6-en-4-yl]benzene
SMILESCC/C=C\CC(CCC)c1cccc(OC)c1
InChIInChI=1S/C16H24O/c1-4-6-7-10-14(9-5-2)15-11-8-12-16(13-15)17-3/h6-8,11-14H,4-5,9-10H2,1-3H3/b7-6-
InChIKeyLPMBXVOPJLXFOP-SREVYHEPSA-N
MW232.37 g/mol
LogP4.94
Rot. Bonds7

About 1-methoxy-3-[(Z)-non-6-en-4-yl]benzene

1-methoxy-3-[(Z)-non-6-en-4-yl]benzene (PubChem CID 83928970) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-methoxy-3-[(Z)-non-6-en-4-yl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[(Z)-non-6-en-4-yl]benzene
PubChem CID83928970
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-methoxy-3-[(Z)-non-6-en-4-yl]benzene
SMILESCC/C=C\CC(CCC)c1cccc(OC)c1
InChIInChI=1S/C16H24O/c1-4-6-7-10-14(9-5-2)15-11-8-12-16(13-15)17-3/h6-8,11-14H,4-5,9-10H2,1-3H3/b7-6-
InChIKeyLPMBXVOPJLXFOP-SREVYHEPSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.94
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

4-(3-methoxyphenyl)heptan-1-amine
CID 83928909
1-hept-1-yn-4-yl-3-methoxybenzene
CID 83928957
(1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride
CID 66812884
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
(3S)-3-(3-methoxyphenyl)pentanal
CID 118647969
1-(1,3-dichloropropan-2-yl)-3-methoxybenzene
CID 70178746
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
1-(3-bromohexan-2-yl)-3-methoxybenzene
CID 83051986
(Z)-1-(3-methoxyphenyl)-2-methyliminohex-3-en-1-amine
CID 145107668
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
1-ethyl-4-[1-(3-methoxyphenyl)butyl]benzene
CID 173290685
1-(3-methoxyphenyl)-3-methylhexan-1-amine
CID 62605848

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(Z)-non-6-en-4-yl]benzene?
The IUPAC name of 1-methoxy-3-[(Z)-non-6-en-4-yl]benzene (CID 83928970) is 1-methoxy-3-[(Z)-non-6-en-4-yl]benzene.
What is the SMILES notation for 1-methoxy-3-[(Z)-non-6-en-4-yl]benzene?
The canonical SMILES for 1-methoxy-3-[(Z)-non-6-en-4-yl]benzene is CC/C=C\CC(CCC)c1cccc(OC)c1.
What is the InChIKey of 1-methoxy-3-[(Z)-non-6-en-4-yl]benzene?
The InChIKey is LPMBXVOPJLXFOP-SREVYHEPSA-N. The full InChI is InChI=1S/C16H24O/c1-4-6-7-10-14(9-5-2)15-11-8-12-16(13-15)17-3/h6-8,11-14H,4-5,9-10H2,1-3H3/b7-6-.
What are the key properties of 1-methoxy-3-[(Z)-non-6-en-4-yl]benzene?
1-methoxy-3-[(Z)-non-6-en-4-yl]benzene has a molecular weight of 232.37 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(Z)-non-6-en-4-yl]benzene is sourced from PubChem (CID 83928970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).