(5-chlorofuran-2-yl)-(4-cyclohexylphenyl)methanone

C17H17ClO2 — CID 106683716

IUPAC(5-chlorofuran-2-yl)-(4-cyclohexylphenyl)methanone
SMILESO=C(c1ccc(C2CCCCC2)cc1)c1ccc(Cl)o1
InChIInChI=1S/C17H17ClO2/c18-16-11-10-15(20-16)17(19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-12H,1-5H2
InChIKeyQXCILNGDNUNGTL-UHFFFAOYSA-N
MW288.77 g/mol
LogP5.21
Rot. Bonds3

About (5-chlorofuran-2-yl)-(4-cyclohexylphenyl)methanone

(5-chlorofuran-2-yl)-(4-cyclohexylphenyl)methanone (PubChem CID 106683716) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(4-cyclohexylphenyl)methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(4-cyclohexylphenyl)methanone
PubChem CID106683716
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name(5-chlorofuran-2-yl)-(4-cyclohexylphenyl)methanone
SMILESO=C(c1ccc(C2CCCCC2)cc1)c1ccc(Cl)o1
InChIInChI=1S/C17H17ClO2/c18-16-11-10-15(20-16)17(19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-12H,1-5H2
InChIKeyQXCILNGDNUNGTL-UHFFFAOYSA-N
XLogP5.21
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.77
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-chlorofuran-2-yl)-(4-cyclohexylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(4-cyclohexylphenyl)methanone?
The IUPAC name of (5-chlorofuran-2-yl)-(4-cyclohexylphenyl)methanone (CID 106683716) is (5-chlorofuran-2-yl)-(4-cyclohexylphenyl)methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-(4-cyclohexylphenyl)methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-(4-cyclohexylphenyl)methanone is O=C(c1ccc(C2CCCCC2)cc1)c1ccc(Cl)o1.
What is the InChIKey of (5-chlorofuran-2-yl)-(4-cyclohexylphenyl)methanone?
The InChIKey is QXCILNGDNUNGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c18-16-11-10-15(20-16)17(19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-12H,1-5H2.
What are the key properties of (5-chlorofuran-2-yl)-(4-cyclohexylphenyl)methanone?
(5-chlorofuran-2-yl)-(4-cyclohexylphenyl)methanone has a molecular weight of 288.77 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-(4-cyclohexylphenyl)methanone is sourced from PubChem (CID 106683716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).