(4-pentoxycarbonylphenyl) furan-2-carboxylate

C17H18O5 — CID 4024442

IUPAC(4-pentoxycarbonylphenyl) furan-2-carboxylate
SMILESCCCCCOC(=O)c1ccc(OC(=O)c2ccco2)cc1
InChIInChI=1S/C17H18O5/c1-2-3-4-11-21-16(18)13-7-9-14(10-8-13)22-17(19)15-6-5-12-20-15/h5-10,12H,2-4,11H2,1H3
InChIKeyZYNYLJVRVMUYAZ-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.85
Rot. Bonds7

About (4-pentoxycarbonylphenyl) furan-2-carboxylate

(4-pentoxycarbonylphenyl) furan-2-carboxylate (PubChem CID 4024442) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is (4-pentoxycarbonylphenyl) furan-2-carboxylate.

Molecular Properties

Compound Name(4-pentoxycarbonylphenyl) furan-2-carboxylate
PubChem CID4024442
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name(4-pentoxycarbonylphenyl) furan-2-carboxylate
SMILESCCCCCOC(=O)c1ccc(OC(=O)c2ccco2)cc1
InChIInChI=1S/C17H18O5/c1-2-3-4-11-21-16(18)13-7-9-14(10-8-13)22-17(19)15-6-5-12-20-15/h5-10,12H,2-4,11H2,1H3
InChIKeyZYNYLJVRVMUYAZ-UHFFFAOYSA-N
XLogP3.85
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

hexyl 4-(furan-2-carbonylamino)benzoate
CID 19170342
heptyl 4-(furan-2-carbonylamino)benzoate
CID 565794
[4-[6-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyhexoxycarbonyl]phenyl] 4-dodecoxybenzoate
CID 101359689
[2-(4-butoxycarbonylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2631611
decyl 4-(4-benzoyloxyphenyl)benzoate
CID 102207289
ditetradecyl benzene-1,4-dicarboxylate
CID 19868359
4-O-dodecyl 1-O-hexyl benzene-1,4-dicarboxylate
CID 91724658
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
icosyl 4-methoxybenzoate
CID 71438594
bis[4-(4-tetradecoxycarbonylphenoxy)carbonylphenyl] 5-methoxybenzene-1,3-dicarboxylate
CID 102179326
butyl benzoate;hexyl benzoate
CID 22163024
butyl 4-(4-butoxycarbonylphenoxy)benzoate
CID 139890645

Frequently Asked Questions

What is the IUPAC name of (4-pentoxycarbonylphenyl) furan-2-carboxylate?
The IUPAC name of (4-pentoxycarbonylphenyl) furan-2-carboxylate (CID 4024442) is (4-pentoxycarbonylphenyl) furan-2-carboxylate.
What is the SMILES notation for (4-pentoxycarbonylphenyl) furan-2-carboxylate?
The canonical SMILES for (4-pentoxycarbonylphenyl) furan-2-carboxylate is CCCCCOC(=O)c1ccc(OC(=O)c2ccco2)cc1.
What is the InChIKey of (4-pentoxycarbonylphenyl) furan-2-carboxylate?
The InChIKey is ZYNYLJVRVMUYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-2-3-4-11-21-16(18)13-7-9-14(10-8-13)22-17(19)15-6-5-12-20-15/h5-10,12H,2-4,11H2,1H3.
What are the key properties of (4-pentoxycarbonylphenyl) furan-2-carboxylate?
(4-pentoxycarbonylphenyl) furan-2-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pentoxycarbonylphenyl) furan-2-carboxylate is sourced from PubChem (CID 4024442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).