2-[(4-chlorophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran

C17H15ClO2 — CID 12840322

IUPAC2-[(4-chlorophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran
SMILESCc1ccc(C(c2ccc(Cl)cc2)c2ccc(C)o2)o1
InChIInChI=1S/C17H15ClO2/c1-11-3-9-15(19-11)17(16-10-4-12(2)20-16)13-5-7-14(18)8-6-13/h3-10,17H,1-2H3
InChIKeyWHNLHDBHQYRNGR-UHFFFAOYSA-N
MW286.76 g/mol
LogP5.32
Rot. Bonds3

About 2-[(4-chlorophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran

2-[(4-chlorophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran (PubChem CID 12840322) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran
PubChem CID12840322
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name2-[(4-chlorophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran
SMILESCc1ccc(C(c2ccc(Cl)cc2)c2ccc(C)o2)o1
InChIInChI=1S/C17H15ClO2/c1-11-3-9-15(19-11)17(16-10-4-12(2)20-16)13-5-7-14(18)8-6-13/h3-10,17H,1-2H3
InChIKeyWHNLHDBHQYRNGR-UHFFFAOYSA-N
XLogP5.32
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.76
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran?
The IUPAC name of 2-[(4-chlorophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran (CID 12840322) is 2-[(4-chlorophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran.
What is the SMILES notation for 2-[(4-chlorophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran?
The canonical SMILES for 2-[(4-chlorophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran is Cc1ccc(C(c2ccc(Cl)cc2)c2ccc(C)o2)o1.
What is the InChIKey of 2-[(4-chlorophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran?
The InChIKey is WHNLHDBHQYRNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c1-11-3-9-15(19-11)17(16-10-4-12(2)20-16)13-5-7-14(18)8-6-13/h3-10,17H,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran?
2-[(4-chlorophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran has a molecular weight of 286.76 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran is sourced from PubChem (CID 12840322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).