1-phenoxy-4-(3-propoxybutoxy)benzene

C19H24O3 — CID 14353135

IUPAC1-phenoxy-4-(3-propoxybutoxy)benzene
SMILESCCCOC(C)CCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H24O3/c1-3-14-20-16(2)13-15-21-17-9-11-19(12-10-17)22-18-7-5-4-6-8-18/h4-12,16H,3,13-15H2,1-2H3
InChIKeyZPMJMWIXTWONEW-UHFFFAOYSA-N
MW300.40 g/mol
LogP5.06
Rot. Bonds9

About 1-phenoxy-4-(3-propoxybutoxy)benzene

1-phenoxy-4-(3-propoxybutoxy)benzene (PubChem CID 14353135) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-phenoxy-4-(3-propoxybutoxy)benzene.

Molecular Properties

Compound Name1-phenoxy-4-(3-propoxybutoxy)benzene
PubChem CID14353135
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name1-phenoxy-4-(3-propoxybutoxy)benzene
SMILESCCCOC(C)CCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H24O3/c1-3-14-20-16(2)13-15-21-17-9-11-19(12-10-17)22-18-7-5-4-6-8-18/h4-12,16H,3,13-15H2,1-2H3
InChIKeyZPMJMWIXTWONEW-UHFFFAOYSA-N
XLogP5.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-4-(3-propoxybutoxy)benzene?
The IUPAC name of 1-phenoxy-4-(3-propoxybutoxy)benzene (CID 14353135) is 1-phenoxy-4-(3-propoxybutoxy)benzene.
What is the SMILES notation for 1-phenoxy-4-(3-propoxybutoxy)benzene?
The canonical SMILES for 1-phenoxy-4-(3-propoxybutoxy)benzene is CCCOC(C)CCOc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-phenoxy-4-(3-propoxybutoxy)benzene?
The InChIKey is ZPMJMWIXTWONEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-3-14-20-16(2)13-15-21-17-9-11-19(12-10-17)22-18-7-5-4-6-8-18/h4-12,16H,3,13-15H2,1-2H3.
What are the key properties of 1-phenoxy-4-(3-propoxybutoxy)benzene?
1-phenoxy-4-(3-propoxybutoxy)benzene has a molecular weight of 300.40 g/mol, XLogP of 5.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-4-(3-propoxybutoxy)benzene is sourced from PubChem (CID 14353135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).