(4-propan-2-ylphenyl) furan-2-carboxylate

C14H14O3 — CID 723691

IUPAC(4-propan-2-ylphenyl) furan-2-carboxylate
SMILESCC(C)c1ccc(OC(=O)c2ccco2)cc1
InChIInChI=1S/C14H14O3/c1-10(2)11-5-7-12(8-6-11)17-14(15)13-4-3-9-16-13/h3-10H,1-2H3
InChIKeyVBULYXXIYFWYLJ-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.62
Rot. Bonds3

About (4-propan-2-ylphenyl) furan-2-carboxylate

(4-propan-2-ylphenyl) furan-2-carboxylate (PubChem CID 723691) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is (4-propan-2-ylphenyl) furan-2-carboxylate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl) furan-2-carboxylate
PubChem CID723691
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name(4-propan-2-ylphenyl) furan-2-carboxylate
SMILESCC(C)c1ccc(OC(=O)c2ccco2)cc1
InChIInChI=1S/C14H14O3/c1-10(2)11-5-7-12(8-6-11)17-14(15)13-4-3-9-16-13/h3-10H,1-2H3
InChIKeyVBULYXXIYFWYLJ-UHFFFAOYSA-N
XLogP3.62
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate
CID 58189999
N-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide
CID 2918144
methane;propan-2-yl furan-2-carboxylate
CID 157166715
(4-propan-2-ylphenyl) 2-phenylacetate
CID 917902
(4-ethylphenyl) 4-propan-2-ylbenzoate
CID 1406527
2-O-(4-methoxyphenyl) 1-O-(4-propan-2-ylphenyl) benzene-1,2-dicarboxylate
CID 6426010
(4-propan-2-ylphenyl) 5-(methoxymethyl)furan-2-carboxylate
CID 78824631
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 40938970
(4-methanehydrazonoylphenyl) furan-2-carboxylate
CID 168530481
[4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenyl] furan-2-carboxylate
CID 46221265
[3-[4-[1-[4-[3-(furan-2-carbonyloxy)-2-hydroxypropoxy]phenyl]ethyl]phenoxy]-2-hydroxypropyl] furan-2-carboxylate
CID 164930337
[4-(2,5-dioxopyrrolidin-1-yl)phenyl] furan-2-carboxylate
CID 929919

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl) furan-2-carboxylate?
The IUPAC name of (4-propan-2-ylphenyl) furan-2-carboxylate (CID 723691) is (4-propan-2-ylphenyl) furan-2-carboxylate.
What is the SMILES notation for (4-propan-2-ylphenyl) furan-2-carboxylate?
The canonical SMILES for (4-propan-2-ylphenyl) furan-2-carboxylate is CC(C)c1ccc(OC(=O)c2ccco2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl) furan-2-carboxylate?
The InChIKey is VBULYXXIYFWYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-10(2)11-5-7-12(8-6-11)17-14(15)13-4-3-9-16-13/h3-10H,1-2H3.
What are the key properties of (4-propan-2-ylphenyl) furan-2-carboxylate?
(4-propan-2-ylphenyl) furan-2-carboxylate has a molecular weight of 230.26 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl) furan-2-carboxylate is sourced from PubChem (CID 723691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).