2-butyl-1-(1-methoxyethenyl)-4-phenoxybenzene

C19H22O2 — CID 155782247

IUPAC2-butyl-1-(1-methoxyethenyl)-4-phenoxybenzene
SMILESC=C(OC)c1ccc(Oc2ccccc2)cc1CCCC
InChIInChI=1S/C19H22O2/c1-4-5-9-16-14-18(12-13-19(16)15(2)20-3)21-17-10-7-6-8-11-17/h6-8,10-14H,2,4-5,9H2,1,3H3
InChIKeyKWVSXBGMWHGJNB-UHFFFAOYSA-N
MW282.38 g/mol
LogP5.44
Rot. Bonds7

About 2-butyl-1-(1-methoxyethenyl)-4-phenoxybenzene

2-butyl-1-(1-methoxyethenyl)-4-phenoxybenzene (PubChem CID 155782247) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-butyl-1-(1-methoxyethenyl)-4-phenoxybenzene.

Molecular Properties

Compound Name2-butyl-1-(1-methoxyethenyl)-4-phenoxybenzene
PubChem CID155782247
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2-butyl-1-(1-methoxyethenyl)-4-phenoxybenzene
SMILESC=C(OC)c1ccc(Oc2ccccc2)cc1CCCC
InChIInChI=1S/C19H22O2/c1-4-5-9-16-14-18(12-13-19(16)15(2)20-3)21-17-10-7-6-8-11-17/h6-8,10-14H,2,4-5,9H2,1,3H3
InChIKeyKWVSXBGMWHGJNB-UHFFFAOYSA-N
XLogP5.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.38
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(1-methoxyethenyl)-4-phenoxybenzene?
The IUPAC name of 2-butyl-1-(1-methoxyethenyl)-4-phenoxybenzene (CID 155782247) is 2-butyl-1-(1-methoxyethenyl)-4-phenoxybenzene.
What is the SMILES notation for 2-butyl-1-(1-methoxyethenyl)-4-phenoxybenzene?
The canonical SMILES for 2-butyl-1-(1-methoxyethenyl)-4-phenoxybenzene is C=C(OC)c1ccc(Oc2ccccc2)cc1CCCC.
What is the InChIKey of 2-butyl-1-(1-methoxyethenyl)-4-phenoxybenzene?
The InChIKey is KWVSXBGMWHGJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-4-5-9-16-14-18(12-13-19(16)15(2)20-3)21-17-10-7-6-8-11-17/h6-8,10-14H,2,4-5,9H2,1,3H3.
What are the key properties of 2-butyl-1-(1-methoxyethenyl)-4-phenoxybenzene?
2-butyl-1-(1-methoxyethenyl)-4-phenoxybenzene has a molecular weight of 282.38 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(1-methoxyethenyl)-4-phenoxybenzene is sourced from PubChem (CID 155782247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).