3-methoxypent-1-enylbenzene

C12H16O — CID 71364960

IUPAC3-methoxypent-1-enylbenzene
SMILESCCC(C=Cc1ccccc1)OC
InChIInChI=1S/C12H16O/c1-3-12(13-2)10-9-11-7-5-4-6-8-11/h4-10,12H,3H2,1-2H3
InChIKeyDQBRFHQAFIYBMG-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.12
Rot. Bonds4

About 3-methoxypent-1-enylbenzene

3-methoxypent-1-enylbenzene (PubChem CID 71364960) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-methoxypent-1-enylbenzene.

Molecular Properties

Compound Name3-methoxypent-1-enylbenzene
PubChem CID71364960
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name3-methoxypent-1-enylbenzene
SMILESCCC(C=Cc1ccccc1)OC
InChIInChI=1S/C12H16O/c1-3-12(13-2)10-9-11-7-5-4-6-8-11/h4-10,12H,3H2,1-2H3
InChIKeyDQBRFHQAFIYBMG-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(Z,3S,4R)-4-methoxy-3-methylpent-1-enyl]benzene
CID 102252703
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
(3-bromo-3-methoxyprop-1-enyl)benzene
CID 118936577
[(E)-1-methoxy-3-phenylprop-2-enyl]benzene
CID 10353588
methyl (E)-2-ethyl-4-phenylbut-3-enoate
CID 23244812
(2S)-2-ethyl-4-phenylbut-3-en-1-ol
CID 71353215
(E,3S,5S)-5-methoxy-7-phenyl-3-phenylsulfanylhept-6-enal
CID 11045639
(E)-2-methoxy-4-phenylbut-3-enoic acid
CID 11217749
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
[(Z,3R)-1-phenyloct-1-en-3-yl] formate
CID 124646763
[(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene
CID 100939369
(E)-5-methoxy-4-methylidene-7-phenylhept-6-en-3-one
CID 101059452

Frequently Asked Questions

What is the IUPAC name of 3-methoxypent-1-enylbenzene?
The IUPAC name of 3-methoxypent-1-enylbenzene (CID 71364960) is 3-methoxypent-1-enylbenzene.
What is the SMILES notation for 3-methoxypent-1-enylbenzene?
The canonical SMILES for 3-methoxypent-1-enylbenzene is CCC(C=Cc1ccccc1)OC.
What is the InChIKey of 3-methoxypent-1-enylbenzene?
The InChIKey is DQBRFHQAFIYBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-12(13-2)10-9-11-7-5-4-6-8-11/h4-10,12H,3H2,1-2H3.
What are the key properties of 3-methoxypent-1-enylbenzene?
3-methoxypent-1-enylbenzene has a molecular weight of 176.26 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypent-1-enylbenzene is sourced from PubChem (CID 71364960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).