1-(3-ethenylideneoct-1-ynyl)-4-methoxybenzene

C17H20O — CID 102323677

IUPAC1-(3-ethenylideneoct-1-ynyl)-4-methoxybenzene
SMILESC=C=C(C#Cc1ccc(OC)cc1)CCCCC
InChIInChI=1S/C17H20O/c1-4-6-7-8-15(5-2)9-10-16-11-13-17(18-3)14-12-16/h11-14H,2,4,6-8H2,1,3H3
InChIKeyAREPQZVVLHSHCL-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.34
Rot. Bonds5

About 1-(3-ethenylideneoct-1-ynyl)-4-methoxybenzene

1-(3-ethenylideneoct-1-ynyl)-4-methoxybenzene (PubChem CID 102323677) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(3-ethenylideneoct-1-ynyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(3-ethenylideneoct-1-ynyl)-4-methoxybenzene
PubChem CID102323677
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-(3-ethenylideneoct-1-ynyl)-4-methoxybenzene
SMILESC=C=C(C#Cc1ccc(OC)cc1)CCCCC
InChIInChI=1S/C17H20O/c1-4-6-7-8-15(5-2)9-10-16-11-13-17(18-3)14-12-16/h11-14H,2,4,6-8H2,1,3H3
InChIKeyAREPQZVVLHSHCL-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 613607
N-butyl-3-(4-methoxyphenyl)prop-2-ynamide
CID 50917907
1-hex-1-ynyl-4-[2-(4-methoxyphenyl)ethynyl]benzene
CID 67827439
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
5-(4-methoxyphenyl)penta-1,2-dien-4-yn-3-yl-trimethylsilane
CID 102159100
1-deca-1,3-diynyl-4-methoxybenzene
CID 11172515
1,4-dimethoxybenzene;octan-3-one
CID 174621330
4-[2-(4-methoxyphenyl)ethynyl]-1-octadecylpyridin-1-ium bromide
CID 158707807
2-ethenylidene-1-(4-methoxyphenyl)hexan-1-ol
CID 102480284
2-heptoxy-6-[2-(4-methoxyphenyl)ethynyl]naphthalene
CID 19912629
1-methoxy-4-(3-propylheptadec-1-ynyl)benzene
CID 173120920

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethenylideneoct-1-ynyl)-4-methoxybenzene?
The IUPAC name of 1-(3-ethenylideneoct-1-ynyl)-4-methoxybenzene (CID 102323677) is 1-(3-ethenylideneoct-1-ynyl)-4-methoxybenzene.
What is the SMILES notation for 1-(3-ethenylideneoct-1-ynyl)-4-methoxybenzene?
The canonical SMILES for 1-(3-ethenylideneoct-1-ynyl)-4-methoxybenzene is C=C=C(C#Cc1ccc(OC)cc1)CCCCC.
What is the InChIKey of 1-(3-ethenylideneoct-1-ynyl)-4-methoxybenzene?
The InChIKey is AREPQZVVLHSHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-4-6-7-8-15(5-2)9-10-16-11-13-17(18-3)14-12-16/h11-14H,2,4,6-8H2,1,3H3.
What are the key properties of 1-(3-ethenylideneoct-1-ynyl)-4-methoxybenzene?
1-(3-ethenylideneoct-1-ynyl)-4-methoxybenzene has a molecular weight of 240.35 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethenylideneoct-1-ynyl)-4-methoxybenzene is sourced from PubChem (CID 102323677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).