4-butoxy-2-prop-2-enyl-1-propoxybenzene

C16H24O2 — CID 24770790

IUPAC4-butoxy-2-prop-2-enyl-1-propoxybenzene
SMILESC=CCc1cc(OCCCC)ccc1OCCC
InChIInChI=1S/C16H24O2/c1-4-7-12-17-15-9-10-16(18-11-6-3)14(13-15)8-5-2/h5,9-10,13H,2,4,6-8,11-12H2,1,3H3
InChIKeyUVNGHGCIEPQOKH-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.38
Rot. Bonds9

About 4-butoxy-2-prop-2-enyl-1-propoxybenzene

4-butoxy-2-prop-2-enyl-1-propoxybenzene (PubChem CID 24770790) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-butoxy-2-prop-2-enyl-1-propoxybenzene.

Molecular Properties

Compound Name4-butoxy-2-prop-2-enyl-1-propoxybenzene
PubChem CID24770790
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4-butoxy-2-prop-2-enyl-1-propoxybenzene
SMILESC=CCc1cc(OCCCC)ccc1OCCC
InChIInChI=1S/C16H24O2/c1-4-7-12-17-15-9-10-16(18-11-6-3)14(13-15)8-5-2/h5,9-10,13H,2,4,6-8,11-12H2,1,3H3
InChIKeyUVNGHGCIEPQOKH-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.38
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

Butylated Hydroxyanisole
CID 8456
Etofenprox
CID 71245
Tocotrienol
CID 9929901
3-Phenoxybenzyl alcohol
CID 26295
3-Methoxytoluene
CID 7530
Thymyl methyl ether
CID 14104
2-Methylanisole
CID 33637
Carvacryl methyl ether
CID 80790
Dihydrobenzofuran
CID 10329
o-CRESYL GLYCIDYL ETHER
CID 16640
Hthq
CID 119193
2-tert-Butyl-4-hydroxyanisole
CID 6932

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-prop-2-enyl-1-propoxybenzene?
The IUPAC name of 4-butoxy-2-prop-2-enyl-1-propoxybenzene (CID 24770790) is 4-butoxy-2-prop-2-enyl-1-propoxybenzene.
What is the SMILES notation for 4-butoxy-2-prop-2-enyl-1-propoxybenzene?
The canonical SMILES for 4-butoxy-2-prop-2-enyl-1-propoxybenzene is C=CCc1cc(OCCCC)ccc1OCCC.
What is the InChIKey of 4-butoxy-2-prop-2-enyl-1-propoxybenzene?
The InChIKey is UVNGHGCIEPQOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-4-7-12-17-15-9-10-16(18-11-6-3)14(13-15)8-5-2/h5,9-10,13H,2,4,6-8,11-12H2,1,3H3.
What are the key properties of 4-butoxy-2-prop-2-enyl-1-propoxybenzene?
4-butoxy-2-prop-2-enyl-1-propoxybenzene has a molecular weight of 248.37 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-prop-2-enyl-1-propoxybenzene is sourced from PubChem (CID 24770790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).