1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene

C13H16O — CID 170196705

IUPAC1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene
SMILESC=CCOc1cccc(C=C(C)C)c1
InChIInChI=1S/C13H16O/c1-4-8-14-13-7-5-6-12(10-13)9-11(2)3/h4-7,9-10H,1,8H2,2-3H3
InChIKeyWFXOWNJCROILOS-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.67
Rot. Bonds4

About 1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene

1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene (PubChem CID 170196705) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene
PubChem CID170196705
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene
SMILESC=CCOc1cccc(C=C(C)C)c1
InChIInChI=1S/C13H16O/c1-4-8-14-13-7-5-6-12(10-13)9-11(2)3/h4-7,9-10H,1,8H2,2-3H3
InChIKeyWFXOWNJCROILOS-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.67
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-ethoxy-3-(2-methylprop-1-enyl)benzene
CID 139695062
3-(3-prop-2-enoxyphenyl)prop-2-enoic acid
CID 74580611
2-[1-fluoro-2-(3-prop-2-enoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110430
(3-prop-2-enoxyphenyl)azanium
CID 59822882
ethane;3-prop-2-enoxyaniline
CID 143673688
bis(3-prop-2-enoxyphenyl) carbonate
CID 175530983
2-(3-prop-2-enoxyphenyl)propanoic acid
CID 156638364
N-[3-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858974
1,3-dimethyl-5-[(3-prop-2-enoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 27112367
1-ethenyl-3-ethoxybenzene
CID 11672687
1-prop-2-enoxy-3-prop-2-enylbenzene
CID 67362226
2-[(3-prop-2-enoxyphenyl)methylidene]indene-1,3-dione
CID 27112634

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene?
The IUPAC name of 1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene (CID 170196705) is 1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene.
What is the SMILES notation for 1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene?
The canonical SMILES for 1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene is C=CCOc1cccc(C=C(C)C)c1.
What is the InChIKey of 1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene?
The InChIKey is WFXOWNJCROILOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-4-8-14-13-7-5-6-12(10-13)9-11(2)3/h4-7,9-10H,1,8H2,2-3H3.
What are the key properties of 1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene?
1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene has a molecular weight of 188.27 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene is sourced from PubChem (CID 170196705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).