2-benzhydrylfuran;ethyl formate

C20H20O3 — CID 174588492

IUPAC2-benzhydrylfuran;ethyl formate
SMILESCCOC=O.c1ccc(C(c2ccccc2)c2ccco2)cc1
InChIInChI=1S/C17H14O.C3H6O2/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15;1-2-5-3-4/h1-13,17H;3H,2H2,1H3
InChIKeyYHZDXPQHAOHWPR-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.64
Rot. Bonds5

About 2-benzhydrylfuran;ethyl formate

2-benzhydrylfuran;ethyl formate (PubChem CID 174588492) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-benzhydrylfuran;ethyl formate.

Molecular Properties

Compound Name2-benzhydrylfuran;ethyl formate
PubChem CID174588492
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name2-benzhydrylfuran;ethyl formate
SMILESCCOC=O.c1ccc(C(c2ccccc2)c2ccco2)cc1
InChIInChI=1S/C17H14O.C3H6O2/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15;1-2-5-3-4/h1-13,17H;3H,2H2,1H3
InChIKeyYHZDXPQHAOHWPR-UHFFFAOYSA-N
XLogP4.64
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-benzhydrylformamide;diphenylmethanamine;ethyl formate
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aniline;bicyclo[2.2.0]hexa-1,3,5-triene;ethyl formate
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N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine
CID 60780727
ethyl (2R,3R)-2-(benzhydrylamino)-3-(furan-2-yl)-3-hydroxypropanoate
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[(R)-furan-2-yl(phenyl)methyl]azanium
CID 6945147

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylfuran;ethyl formate?
The IUPAC name of 2-benzhydrylfuran;ethyl formate (CID 174588492) is 2-benzhydrylfuran;ethyl formate.
What is the SMILES notation for 2-benzhydrylfuran;ethyl formate?
The canonical SMILES for 2-benzhydrylfuran;ethyl formate is CCOC=O.c1ccc(C(c2ccccc2)c2ccco2)cc1.
What is the InChIKey of 2-benzhydrylfuran;ethyl formate?
The InChIKey is YHZDXPQHAOHWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O.C3H6O2/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15;1-2-5-3-4/h1-13,17H;3H,2H2,1H3.
What are the key properties of 2-benzhydrylfuran;ethyl formate?
2-benzhydrylfuran;ethyl formate has a molecular weight of 308.38 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylfuran;ethyl formate is sourced from PubChem (CID 174588492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).