(4-phenylphenyl) 2-methylfuran-3-carboxylate

C18H14O3 — CID 18206101

IUPAC(4-phenylphenyl) 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H14O3/c1-13-17(11-12-20-13)18(19)21-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyHQZQWYZXLIJNGV-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.47
Rot. Bonds3

About (4-phenylphenyl) 2-methylfuran-3-carboxylate

(4-phenylphenyl) 2-methylfuran-3-carboxylate (PubChem CID 18206101) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is (4-phenylphenyl) 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name(4-phenylphenyl) 2-methylfuran-3-carboxylate
PubChem CID18206101
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name(4-phenylphenyl) 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H14O3/c1-13-17(11-12-20-13)18(19)21-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyHQZQWYZXLIJNGV-UHFFFAOYSA-N
XLogP4.47
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) 2-methylfuran-3-carboxylate?
The IUPAC name of (4-phenylphenyl) 2-methylfuran-3-carboxylate (CID 18206101) is (4-phenylphenyl) 2-methylfuran-3-carboxylate.
What is the SMILES notation for (4-phenylphenyl) 2-methylfuran-3-carboxylate?
The canonical SMILES for (4-phenylphenyl) 2-methylfuran-3-carboxylate is Cc1occc1C(=O)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl) 2-methylfuran-3-carboxylate?
The InChIKey is HQZQWYZXLIJNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c1-13-17(11-12-20-13)18(19)21-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of (4-phenylphenyl) 2-methylfuran-3-carboxylate?
(4-phenylphenyl) 2-methylfuran-3-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) 2-methylfuran-3-carboxylate is sourced from PubChem (CID 18206101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).