1-ethyl-2-(3-phenylprop-2-ynoxy)benzene

C17H16O — CID 64765483

IUPAC1-ethyl-2-(3-phenylprop-2-ynoxy)benzene
SMILESCCc1ccccc1OCC#Cc1ccccc1
InChIInChI=1S/C17H16O/c1-2-16-12-6-7-13-17(16)18-14-8-11-15-9-4-3-5-10-15/h3-7,9-10,12-13H,2,14H2,1H3
InChIKeyHONABUXSSAAWMH-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.68
Rot. Bonds3

About 1-ethyl-2-(3-phenylprop-2-ynoxy)benzene

1-ethyl-2-(3-phenylprop-2-ynoxy)benzene (PubChem CID 64765483) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-ethyl-2-(3-phenylprop-2-ynoxy)benzene.

Molecular Properties

Compound Name1-ethyl-2-(3-phenylprop-2-ynoxy)benzene
PubChem CID64765483
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name1-ethyl-2-(3-phenylprop-2-ynoxy)benzene
SMILESCCc1ccccc1OCC#Cc1ccccc1
InChIInChI=1S/C17H16O/c1-2-16-12-6-7-13-17(16)18-14-8-11-15-9-4-3-5-10-15/h3-7,9-10,12-13H,2,14H2,1H3
InChIKeyHONABUXSSAAWMH-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.68
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

N-[[2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine
CID 62339166
2-[2-(3-phenylprop-2-ynoxy)phenyl]ethanol
CID 107713342
2-(2-ethylphenoxy)acetonitrile
CID 22688439
2-methyl-3-(3-phenylprop-2-ynoxy)phenol
CID 62339193
N-[[5-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]methyl]ethanamine
CID 107695708
1-[3-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]-N-methylmethanamine
CID 62340507
1-chloro-4-[3-[2-(2-phenylethynyl)phenoxy]prop-1-ynyl]benzene
CID 72724381
1-[5-bromo-2-(3-phenylprop-2-ynoxy)phenyl]propan-2-amine
CID 62339209
N-[2-(3-phenylprop-2-ynoxy)phenyl]benzamide
CID 11404659
3-(3-phenylprop-2-ynoxy)thiophene-2-carboxylic acid
CID 55202524
1-butan-2-yl-4-(3-phenylprop-2-ynoxy)benzene
CID 107668986
3-(3-phenylprop-2-ynoxy)pyridine-4-carboxylic acid
CID 81446561

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-phenylprop-2-ynoxy)benzene?
The IUPAC name of 1-ethyl-2-(3-phenylprop-2-ynoxy)benzene (CID 64765483) is 1-ethyl-2-(3-phenylprop-2-ynoxy)benzene.
What is the SMILES notation for 1-ethyl-2-(3-phenylprop-2-ynoxy)benzene?
The canonical SMILES for 1-ethyl-2-(3-phenylprop-2-ynoxy)benzene is CCc1ccccc1OCC#Cc1ccccc1.
What is the InChIKey of 1-ethyl-2-(3-phenylprop-2-ynoxy)benzene?
The InChIKey is HONABUXSSAAWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-2-16-12-6-7-13-17(16)18-14-8-11-15-9-4-3-5-10-15/h3-7,9-10,12-13H,2,14H2,1H3.
What are the key properties of 1-ethyl-2-(3-phenylprop-2-ynoxy)benzene?
1-ethyl-2-(3-phenylprop-2-ynoxy)benzene has a molecular weight of 236.31 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-phenylprop-2-ynoxy)benzene is sourced from PubChem (CID 64765483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).