anisole;but-3-enoxybenzene

C17H20O2 — CID 174761838

IUPACanisole;but-3-enoxybenzene
SMILESC=CCCOc1ccccc1.COc1ccccc1
InChIInChI=1S/C10H12O.C7H8O/c1-2-3-9-11-10-7-5-4-6-8-10;1-8-7-5-3-2-4-6-7/h2,4-8H,1,3,9H2;2-6H,1H3
InChIKeyLEPKJONLAKVXFP-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.34
Rot. Bonds5

About anisole;but-3-enoxybenzene

anisole;but-3-enoxybenzene (PubChem CID 174761838) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is anisole;but-3-enoxybenzene.

Molecular Properties

Compound Nameanisole;but-3-enoxybenzene
PubChem CID174761838
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Nameanisole;but-3-enoxybenzene
SMILESC=CCCOc1ccccc1.COc1ccccc1
InChIInChI=1S/C10H12O.C7H8O/c1-2-3-9-11-10-7-5-4-6-8-10;1-8-7-5-3-2-4-6-7/h2,4-8H,1,3,9H2;2-6H,1H3
InChIKeyLEPKJONLAKVXFP-UHFFFAOYSA-N
XLogP4.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.34
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

(4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene
CID 71359272
1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene
CID 144875498
1-but-3-enoxy-2-methoxybenzene
CID 56629510
1-methoxy-3-pent-4-enoxybenzene
CID 10750277
1-but-3-enoxy-4-[1-[4-[4-[4-[1-(4-but-3-enoxyphenyl)-1-phenylethyl]phenoxy]butoxy]phenyl]-1-phenylethyl]benzene
CID 158223803
1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 101232292
1-but-3-enoxy-4-tert-butylbenzene
CID 42600781
anisole;ethenoxyethene
CID 159837572
penta-1,4-diene;pentoxybenzene
CID 174999180
1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene
CID 59168492
CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385

Frequently Asked Questions

What is the IUPAC name of anisole;but-3-enoxybenzene?
The IUPAC name of anisole;but-3-enoxybenzene (CID 174761838) is anisole;but-3-enoxybenzene.
What is the SMILES notation for anisole;but-3-enoxybenzene?
The canonical SMILES for anisole;but-3-enoxybenzene is C=CCCOc1ccccc1.COc1ccccc1.
What is the InChIKey of anisole;but-3-enoxybenzene?
The InChIKey is LEPKJONLAKVXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C7H8O/c1-2-3-9-11-10-7-5-4-6-8-10;1-8-7-5-3-2-4-6-7/h2,4-8H,1,3,9H2;2-6H,1H3.
What are the key properties of anisole;but-3-enoxybenzene?
anisole;but-3-enoxybenzene has a molecular weight of 256.34 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;but-3-enoxybenzene is sourced from PubChem (CID 174761838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).