2-(3-chlorophenyl)-5-[methoxy-(4-methylphenyl)methyl]furan

C19H17ClO2 — CID 101452780

IUPAC2-(3-chlorophenyl)-5-[methoxy-(4-methylphenyl)methyl]furan
SMILESCOC(c1ccc(C)cc1)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C19H17ClO2/c1-13-6-8-14(9-7-13)19(21-2)18-11-10-17(22-18)15-4-3-5-16(20)12-15/h3-12,19H,1-2H3
InChIKeyHLIXVUSLDKRNPX-UHFFFAOYSA-N
MW312.80 g/mol
LogP5.64
Rot. Bonds4

About 2-(3-chlorophenyl)-5-[methoxy-(4-methylphenyl)methyl]furan

2-(3-chlorophenyl)-5-[methoxy-(4-methylphenyl)methyl]furan (PubChem CID 101452780) has the molecular formula C19H17ClO2 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[methoxy-(4-methylphenyl)methyl]furan.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[methoxy-(4-methylphenyl)methyl]furan
PubChem CID101452780
Molecular FormulaC19H17ClO2
Molecular Weight312.80 g/mol
Exact Mass312.09
IUPAC Name2-(3-chlorophenyl)-5-[methoxy-(4-methylphenyl)methyl]furan
SMILESCOC(c1ccc(C)cc1)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C19H17ClO2/c1-13-6-8-14(9-7-13)19(21-2)18-11-10-17(22-18)15-4-3-5-16(20)12-15/h3-12,19H,1-2H3
InChIKeyHLIXVUSLDKRNPX-UHFFFAOYSA-N
XLogP5.64
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.80
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[methoxy-(4-methylphenyl)methyl]furan?
The IUPAC name of 2-(3-chlorophenyl)-5-[methoxy-(4-methylphenyl)methyl]furan (CID 101452780) is 2-(3-chlorophenyl)-5-[methoxy-(4-methylphenyl)methyl]furan.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[methoxy-(4-methylphenyl)methyl]furan?
The canonical SMILES for 2-(3-chlorophenyl)-5-[methoxy-(4-methylphenyl)methyl]furan is COC(c1ccc(C)cc1)c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 2-(3-chlorophenyl)-5-[methoxy-(4-methylphenyl)methyl]furan?
The InChIKey is HLIXVUSLDKRNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClO2/c1-13-6-8-14(9-7-13)19(21-2)18-11-10-17(22-18)15-4-3-5-16(20)12-15/h3-12,19H,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-5-[methoxy-(4-methylphenyl)methyl]furan?
2-(3-chlorophenyl)-5-[methoxy-(4-methylphenyl)methyl]furan has a molecular weight of 312.80 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[methoxy-(4-methylphenyl)methyl]furan is sourced from PubChem (CID 101452780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).