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

C16H24O2 — CID 24770089

IUPAC4-butoxy-1-prop-2-enyl-2-propoxybenzene
SMILESC=CCc1ccc(OCCCC)cc1OCCC
InChIInChI=1S/C16H24O2/c1-4-7-12-17-15-10-9-14(8-5-2)16(13-15)18-11-6-3/h5,9-10,13H,2,4,6-8,11-12H2,1,3H3
InChIKeySRDDHBSXCCZHEX-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.38
Rot. Bonds9

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

4-butoxy-1-prop-2-enyl-2-propoxybenzene (PubChem CID 24770089) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-butoxy-1-prop-2-enyl-2-propoxybenzene.

Molecular Properties

Compound Name4-butoxy-1-prop-2-enyl-2-propoxybenzene
PubChem CID24770089
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4-butoxy-1-prop-2-enyl-2-propoxybenzene
SMILESC=CCc1ccc(OCCCC)cc1OCCC
InChIInChI=1S/C16H24O2/c1-4-7-12-17-15-10-9-14(8-5-2)16(13-15)18-11-6-3/h5,9-10,13H,2,4,6-8,11-12H2,1,3H3
InChIKeySRDDHBSXCCZHEX-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'}

Analyze 4-butoxy-1-prop-2-enyl-2-propoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butoxy-2-prop-2-enoxy-1-prop-2-enylbenzene
CID 24770216
2-(3-methylbutoxy)-1-prop-2-enyl-4-propoxybenzene
CID 24770649
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
1-(chloromethyl)-2-heptoxy-4-propoxybenzene
CID 43472305
(2-octoxy-4-propoxyphenyl)methanamine
CID 43472093
(2,4-dipentoxyphenyl)methanol
CID 54794877
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
4-ethoxy-2-methoxy-1-prop-2-enylbenzene
CID 24770498
1-(2-butoxy-4-propoxyphenyl)propan-2-amine
CID 54930871
4-hexoxy-2-prop-2-enylphenol;methane
CID 70388285
2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine
CID 63062650
6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol
CID 107702428

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-1-prop-2-enyl-2-propoxybenzene?
The IUPAC name of 4-butoxy-1-prop-2-enyl-2-propoxybenzene (CID 24770089) is 4-butoxy-1-prop-2-enyl-2-propoxybenzene.
What is the SMILES notation for 4-butoxy-1-prop-2-enyl-2-propoxybenzene?
The canonical SMILES for 4-butoxy-1-prop-2-enyl-2-propoxybenzene is C=CCc1ccc(OCCCC)cc1OCCC.
What is the InChIKey of 4-butoxy-1-prop-2-enyl-2-propoxybenzene?
The InChIKey is SRDDHBSXCCZHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-4-7-12-17-15-10-9-14(8-5-2)16(13-15)18-11-6-3/h5,9-10,13H,2,4,6-8,11-12H2,1,3H3.
What are the key properties of 4-butoxy-1-prop-2-enyl-2-propoxybenzene?
4-butoxy-1-prop-2-enyl-2-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-1-prop-2-enyl-2-propoxybenzene is sourced from PubChem (CID 24770089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).