1-methoxy-3-pent-4-enoxybenzene

C12H16O2 — CID 10750277

IUPAC1-methoxy-3-pent-4-enoxybenzene
SMILESC=CCCCOc1cccc(OC)c1
InChIInChI=1S/C12H16O2/c1-3-4-5-9-14-12-8-6-7-11(10-12)13-2/h3,6-8,10H,1,4-5,9H2,2H3
InChIKeyQNUYWRJVTVJQDA-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.04
Rot. Bonds6

About 1-methoxy-3-pent-4-enoxybenzene

1-methoxy-3-pent-4-enoxybenzene (PubChem CID 10750277) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-methoxy-3-pent-4-enoxybenzene.

Molecular Properties

Compound Name1-methoxy-3-pent-4-enoxybenzene
PubChem CID10750277
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-methoxy-3-pent-4-enoxybenzene
SMILESC=CCCCOc1cccc(OC)c1
InChIInChI=1S/C12H16O2/c1-3-4-5-9-14-12-8-6-7-11(10-12)13-2/h3,6-8,10H,1,4-5,9H2,2H3
InChIKeyQNUYWRJVTVJQDA-UHFFFAOYSA-N
XLogP3.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-3-pent-4-enoxybenzene
CID 64764365
2-(3-methoxyphenoxy)ethyl-prop-2-enylazanium
CID 7285461
1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene
CID 144875498
1-(bromomethyl)-3-pent-4-enoxybenzene
CID 86076126
(1R)-1-(3-pent-4-enoxyphenyl)ethanamine
CID 78967500
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
anisole;but-3-enoxybenzene
CID 174761838
1-bromo-3-hex-5-enoxybenzene
CID 146004224
3-[3-(3-methoxyphenoxy)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109498295
1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene
CID 2251913
1-nitro-3-pent-4-enoxybenzene
CID 11183362
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-pent-4-enoxybenzene?
The IUPAC name of 1-methoxy-3-pent-4-enoxybenzene (CID 10750277) is 1-methoxy-3-pent-4-enoxybenzene.
What is the SMILES notation for 1-methoxy-3-pent-4-enoxybenzene?
The canonical SMILES for 1-methoxy-3-pent-4-enoxybenzene is C=CCCCOc1cccc(OC)c1.
What is the InChIKey of 1-methoxy-3-pent-4-enoxybenzene?
The InChIKey is QNUYWRJVTVJQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-4-5-9-14-12-8-6-7-11(10-12)13-2/h3,6-8,10H,1,4-5,9H2,2H3.
What are the key properties of 1-methoxy-3-pent-4-enoxybenzene?
1-methoxy-3-pent-4-enoxybenzene has a molecular weight of 192.26 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-pent-4-enoxybenzene is sourced from PubChem (CID 10750277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).