(4-phenylphenyl) 5-methylfuran-2-carboxylate

C18H14O3 — CID 16552041

IUPAC(4-phenylphenyl) 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C18H14O3/c1-13-7-12-17(20-13)18(19)21-16-10-8-15(9-11-16)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyBBSZGARMJZMZMA-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.47
Rot. Bonds3

About (4-phenylphenyl) 5-methylfuran-2-carboxylate

(4-phenylphenyl) 5-methylfuran-2-carboxylate (PubChem CID 16552041) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is (4-phenylphenyl) 5-methylfuran-2-carboxylate.

Molecular Properties

Compound Name(4-phenylphenyl) 5-methylfuran-2-carboxylate
PubChem CID16552041
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name(4-phenylphenyl) 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C18H14O3/c1-13-7-12-17(20-13)18(19)21-16-10-8-15(9-11-16)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyBBSZGARMJZMZMA-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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Related Compounds

(4-ethylphenyl) (4-phenylphenyl) carbonate
CID 118690250
(4-methylphenyl) 5-bromofuran-2-carboxylate
CID 878839
(4-phenylphenyl) 2-methylfuran-3-carboxylate
CID 18206101
[4-(4-methylphenyl)phenyl] 1-benzofuran-2-carboxylate
CID 19189316
(4-phenylphenyl) 2-hydroxybenzoate
CID 19871808
(4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate
CID 78824404
propan-2-yl 5-methylfuran-2-carboxylate
CID 60643123
[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate
CID 143295310
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
(4-phenylphenyl) 4-but-3-enylbenzoate
CID 19972225
formaldehyde;(4-methylphenyl) benzoate
CID 143467602
1-(5-methylfuran-2-yl)-2-phenylethanone
CID 4610358

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) 5-methylfuran-2-carboxylate?
The IUPAC name of (4-phenylphenyl) 5-methylfuran-2-carboxylate (CID 16552041) is (4-phenylphenyl) 5-methylfuran-2-carboxylate.
What is the SMILES notation for (4-phenylphenyl) 5-methylfuran-2-carboxylate?
The canonical SMILES for (4-phenylphenyl) 5-methylfuran-2-carboxylate is Cc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of (4-phenylphenyl) 5-methylfuran-2-carboxylate?
The InChIKey is BBSZGARMJZMZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c1-13-7-12-17(20-13)18(19)21-16-10-8-15(9-11-16)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of (4-phenylphenyl) 5-methylfuran-2-carboxylate?
(4-phenylphenyl) 5-methylfuran-2-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) 5-methylfuran-2-carboxylate is sourced from PubChem (CID 16552041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).