2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl furan-2-carboxylate

C19H24O5 — CID 20721855

IUPAC2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl furan-2-carboxylate
SMILESCCC(C)c1ccc(OC(C)OCCOC(=O)c2ccco2)cc1
InChIInChI=1S/C19H24O5/c1-4-14(2)16-7-9-17(10-8-16)24-15(3)21-12-13-23-19(20)18-6-5-11-22-18/h5-11,14-15H,4,12-13H2,1-3H3
InChIKeyPNWOHWDLYCCUMG-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.39
Rot. Bonds9

About 2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl furan-2-carboxylate

2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl furan-2-carboxylate (PubChem CID 20721855) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl furan-2-carboxylate.

Molecular Properties

Compound Name2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl furan-2-carboxylate
PubChem CID20721855
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Name2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl furan-2-carboxylate
SMILESCCC(C)c1ccc(OC(C)OCCOC(=O)c2ccco2)cc1
InChIInChI=1S/C19H24O5/c1-4-14(2)16-7-9-17(10-8-16)24-15(3)21-12-13-23-19(20)18-6-5-11-22-18/h5-11,14-15H,4,12-13H2,1-3H3
InChIKeyPNWOHWDLYCCUMG-UHFFFAOYSA-N
XLogP4.39
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl furan-2-carboxylate 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

1-butan-2-yl-4-[1-(4-phenylbutoxy)ethoxy]benzene
CID 21363315
1-butan-2-yl-4-(1-butoxyethoxy)benzene
CID 18739256
1-butan-2-yl-4-[1-[7-[1-(4-butan-2-ylphenoxy)ethoxy]heptoxy]ethoxy]benzene
CID 59687778
1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene
CID 58079015
1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene
CID 145055463
methyl N-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl]carbamate
CID 123881424
(2-bromo-4-butan-2-ylphenyl) furan-2-carboxylate
CID 17187790
(4-propan-2-ylphenyl) furan-2-carboxylate
CID 723691
2-[1-(4-ethylphenoxy)ethoxy]ethyl 4-methoxybenzoate
CID 140648608
1-butan-2-yl-4-[1-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 90919923
1-butan-2-yl-4-[1-(2-pentadecoxyethoxy)ethoxy]benzene
CID 58037077
[3-[4-[1-[4-[3-(furan-2-carbonyloxy)-2-hydroxypropoxy]phenyl]ethyl]phenoxy]-2-hydroxypropyl] furan-2-carboxylate
CID 164930337

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl furan-2-carboxylate?
The IUPAC name of 2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl furan-2-carboxylate (CID 20721855) is 2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl furan-2-carboxylate.
What is the SMILES notation for 2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl furan-2-carboxylate?
The canonical SMILES for 2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl furan-2-carboxylate is CCC(C)c1ccc(OC(C)OCCOC(=O)c2ccco2)cc1.
What is the InChIKey of 2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl furan-2-carboxylate?
The InChIKey is PNWOHWDLYCCUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O5/c1-4-14(2)16-7-9-17(10-8-16)24-15(3)21-12-13-23-19(20)18-6-5-11-22-18/h5-11,14-15H,4,12-13H2,1-3H3.
What are the key properties of 2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl furan-2-carboxylate?
2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl furan-2-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 4.39, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl furan-2-carboxylate is sourced from PubChem (CID 20721855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).