[5-(4-benzylnaphthalen-1-yl)furan-2-yl]methanol

C22H18O2 — CID 21107037

IUPAC[5-(4-benzylnaphthalen-1-yl)furan-2-yl]methanol
SMILESOCc1ccc(-c2ccc(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C22H18O2/c23-15-18-11-13-22(24-18)21-12-10-17(14-16-6-2-1-3-7-16)19-8-4-5-9-20(19)21/h1-13,23H,14-15H2
InChIKeyGAUOKWIWLAIYBJ-UHFFFAOYSA-N
MW314.38 g/mol
LogP5.18
Rot. Bonds4

About [5-(4-benzylnaphthalen-1-yl)furan-2-yl]methanol

[5-(4-benzylnaphthalen-1-yl)furan-2-yl]methanol (PubChem CID 21107037) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is [5-(4-benzylnaphthalen-1-yl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-benzylnaphthalen-1-yl)furan-2-yl]methanol
PubChem CID21107037
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name[5-(4-benzylnaphthalen-1-yl)furan-2-yl]methanol
SMILESOCc1ccc(-c2ccc(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C22H18O2/c23-15-18-11-13-22(24-18)21-12-10-17(14-16-6-2-1-3-7-16)19-8-4-5-9-20(19)21/h1-13,23H,14-15H2
InChIKeyGAUOKWIWLAIYBJ-UHFFFAOYSA-N
XLogP5.18
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-(4-benzylnaphthalen-1-yl)furan-2-yl]methanol 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-(4-benzylnaphthalen-1-yl)furan-2-yl]methanol?
The IUPAC name of [5-(4-benzylnaphthalen-1-yl)furan-2-yl]methanol (CID 21107037) is [5-(4-benzylnaphthalen-1-yl)furan-2-yl]methanol.
What is the SMILES notation for [5-(4-benzylnaphthalen-1-yl)furan-2-yl]methanol?
The canonical SMILES for [5-(4-benzylnaphthalen-1-yl)furan-2-yl]methanol is OCc1ccc(-c2ccc(Cc3ccccc3)c3ccccc23)o1.
What is the InChIKey of [5-(4-benzylnaphthalen-1-yl)furan-2-yl]methanol?
The InChIKey is GAUOKWIWLAIYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c23-15-18-11-13-22(24-18)21-12-10-17(14-16-6-2-1-3-7-16)19-8-4-5-9-20(19)21/h1-13,23H,14-15H2.
What are the key properties of [5-(4-benzylnaphthalen-1-yl)furan-2-yl]methanol?
[5-(4-benzylnaphthalen-1-yl)furan-2-yl]methanol has a molecular weight of 314.38 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-benzylnaphthalen-1-yl)furan-2-yl]methanol is sourced from PubChem (CID 21107037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).