1-methoxy-2-oct-3-ynoxybenzene

C15H20O2 — CID 141209908

IUPAC1-methoxy-2-oct-3-ynoxybenzene
SMILESCCCCC#CCCOc1ccccc1OC
InChIInChI=1S/C15H20O2/c1-3-4-5-6-7-10-13-17-15-12-9-8-11-14(15)16-2/h8-9,11-12H,3-5,10,13H2,1-2H3
InChIKeyPDQBWIHYXOUXDR-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.66
Rot. Bonds6

About 1-methoxy-2-oct-3-ynoxybenzene

1-methoxy-2-oct-3-ynoxybenzene (PubChem CID 141209908) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-methoxy-2-oct-3-ynoxybenzene.

Molecular Properties

Compound Name1-methoxy-2-oct-3-ynoxybenzene
PubChem CID141209908
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-methoxy-2-oct-3-ynoxybenzene
SMILESCCCCC#CCCOc1ccccc1OC
InChIInChI=1S/C15H20O2/c1-3-4-5-6-7-10-13-17-15-12-9-8-11-14(15)16-2/h8-9,11-12H,3-5,10,13H2,1-2H3
InChIKeyPDQBWIHYXOUXDR-UHFFFAOYSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine
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1-(4-chlorobutoxy)-2-methoxybenzene
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1-(2-ethoxyethoxy)-2-methoxybenzene
CID 57249631
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132
1-fluoro-2-hept-2-ynoxybenzene
CID 90710503
4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline
CID 54799245
2-(2-methoxyphenoxy)ethyl-methylazanium
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1,2-bis(5-chloropent-4-ynoxy)benzene
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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-oct-3-ynoxybenzene?
The IUPAC name of 1-methoxy-2-oct-3-ynoxybenzene (CID 141209908) is 1-methoxy-2-oct-3-ynoxybenzene.
What is the SMILES notation for 1-methoxy-2-oct-3-ynoxybenzene?
The canonical SMILES for 1-methoxy-2-oct-3-ynoxybenzene is CCCCC#CCCOc1ccccc1OC.
What is the InChIKey of 1-methoxy-2-oct-3-ynoxybenzene?
The InChIKey is PDQBWIHYXOUXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-4-5-6-7-10-13-17-15-12-9-8-11-14(15)16-2/h8-9,11-12H,3-5,10,13H2,1-2H3.
What are the key properties of 1-methoxy-2-oct-3-ynoxybenzene?
1-methoxy-2-oct-3-ynoxybenzene has a molecular weight of 232.32 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-oct-3-ynoxybenzene is sourced from PubChem (CID 141209908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).