1-(2-ethylbutoxy)-3-prop-1-ynylbenzene

C15H20O — CID 68859858

IUPAC1-(2-ethylbutoxy)-3-prop-1-ynylbenzene
SMILESCC#Cc1cccc(OCC(CC)CC)c1
InChIInChI=1S/C15H20O/c1-4-8-14-9-7-10-15(11-14)16-12-13(5-2)6-3/h7,9-11,13H,5-6,12H2,1-3H3
InChIKeyGMMFXBYGWVPUHD-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.87
Rot. Bonds5

About 1-(2-ethylbutoxy)-3-prop-1-ynylbenzene

1-(2-ethylbutoxy)-3-prop-1-ynylbenzene (PubChem CID 68859858) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(2-ethylbutoxy)-3-prop-1-ynylbenzene.

Molecular Properties

Compound Name1-(2-ethylbutoxy)-3-prop-1-ynylbenzene
PubChem CID68859858
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-(2-ethylbutoxy)-3-prop-1-ynylbenzene
SMILESCC#Cc1cccc(OCC(CC)CC)c1
InChIInChI=1S/C15H20O/c1-4-8-14-9-7-10-15(11-14)16-12-13(5-2)6-3/h7,9-11,13H,5-6,12H2,1-3H3
InChIKeyGMMFXBYGWVPUHD-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2-ethylbutoxy)benzene
CID 118415236
1-(bromomethyl)-3-(2-ethylbutoxy)benzene
CID 82928230
1-(4-chlorobut-1-ynyl)-3-(2-methylbutoxy)benzene
CID 63418689
1-[3-(2-ethylbutoxy)phenyl]ethanone
CID 82927221
2-[3-(2-ethylbutoxy)phenyl]ethanamine
CID 82922399
1-(3-chloroprop-1-ynyl)-3-(2-methylpropoxy)benzene
CID 60799909
2-[(3-bromophenoxy)methyl]butan-1-ol
CID 117241907
2-[(3-chlorophenoxy)methyl]butan-1-amine
CID 117241903
2-chloro-4-(2-ethylbutoxy)benzonitrile
CID 102724077
(2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine
CID 163746108
1-ethyl-3-prop-1-ynylbenzene
CID 91113772
1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol
CID 67316817

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutoxy)-3-prop-1-ynylbenzene?
The IUPAC name of 1-(2-ethylbutoxy)-3-prop-1-ynylbenzene (CID 68859858) is 1-(2-ethylbutoxy)-3-prop-1-ynylbenzene.
What is the SMILES notation for 1-(2-ethylbutoxy)-3-prop-1-ynylbenzene?
The canonical SMILES for 1-(2-ethylbutoxy)-3-prop-1-ynylbenzene is CC#Cc1cccc(OCC(CC)CC)c1.
What is the InChIKey of 1-(2-ethylbutoxy)-3-prop-1-ynylbenzene?
The InChIKey is GMMFXBYGWVPUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-4-8-14-9-7-10-15(11-14)16-12-13(5-2)6-3/h7,9-11,13H,5-6,12H2,1-3H3.
What are the key properties of 1-(2-ethylbutoxy)-3-prop-1-ynylbenzene?
1-(2-ethylbutoxy)-3-prop-1-ynylbenzene has a molecular weight of 216.32 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutoxy)-3-prop-1-ynylbenzene is sourced from PubChem (CID 68859858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).