1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene

C13H18O2 — CID 11321707

IUPAC1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene
SMILESC=C[C@H](CCC)Oc1ccc(OC)cc1
InChIInChI=1S/C13H18O2/c1-4-6-11(5-2)15-13-9-7-12(14-3)8-10-13/h5,7-11H,2,4,6H2,1,3H3/t11-/m1/s1
InChIKeyPFGWJKOZSYCYID-LLVKDONJSA-N
MW206.28 g/mol
LogP3.43
Rot. Bonds6

About 1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene

1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene (PubChem CID 11321707) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene.

Molecular Properties

Compound Name1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene
PubChem CID11321707
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene
SMILESC=C[C@H](CCC)Oc1ccc(OC)cc1
InChIInChI=1S/C13H18O2/c1-4-6-11(5-2)15-13-9-7-12(14-3)8-10-13/h5,7-11H,2,4,6H2,1,3H3/t11-/m1/s1
InChIKeyPFGWJKOZSYCYID-LLVKDONJSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-hex-1-en-3-yl]oxybenzene
CID 100974430
1-hex-1-en-3-yloxy-4-nitrobenzene
CID 58105900
(3R,5S)-5-(4-methoxyphenoxy)-2-methylhept-6-en-3-ol
CID 102442561
1-[(1R,2R)-1-ethenyl-2-(4-methoxyphenoxy)heptoxy]-4-methoxybenzene
CID 102097500
[3-[(3R)-hex-1-en-3-yl]oxyphenyl] acetate
CID 102471013
N-methyl-4-(4-pentan-2-ylphenoxy)hex-5-enamide
CID 177362391
[(3S)-hept-1-en-3-yl]oxy-[(3R)-5-[(4-methoxyphenyl)methoxy]pent-1-en-3-yl]oxy-di(propan-2-yl)silane
CID 71812303
N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine
CID 138519029
1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene
CID 101467389
3-(4-methoxyphenyl)heptane-2,4-diol
CID 21414884
methyl (2S)-2-(4-methoxyphenoxy)but-3-enoate
CID 134863377
1-ethenyl-4-hexan-3-yloxybenzene
CID 22475840

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene?
The IUPAC name of 1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene (CID 11321707) is 1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene.
What is the SMILES notation for 1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene?
The canonical SMILES for 1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene is C=C[C@H](CCC)Oc1ccc(OC)cc1.
What is the InChIKey of 1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene?
The InChIKey is PFGWJKOZSYCYID-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-6-11(5-2)15-13-9-7-12(14-3)8-10-13/h5,7-11H,2,4,6H2,1,3H3/t11-/m1/s1.
What are the key properties of 1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene?
1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene has a molecular weight of 206.28 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene is sourced from PubChem (CID 11321707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).