2-(3-chlorophenyl)-5-methylfuran

C11H9ClO — CID 20647230

IUPAC2-(3-chlorophenyl)-5-methylfuran
SMILESCc1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C11H9ClO/c1-8-5-6-11(13-8)9-3-2-4-10(12)7-9/h2-7H,1H3
InChIKeyHCVJGBVPALAAKE-UHFFFAOYSA-N
MW192.64 g/mol
LogP3.91
Rot. Bonds1

About 2-(3-chlorophenyl)-5-methylfuran

2-(3-chlorophenyl)-5-methylfuran (PubChem CID 20647230) has the molecular formula C11H9ClO and a molecular weight of 192.64 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methylfuran.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methylfuran
PubChem CID20647230
Molecular FormulaC11H9ClO
Molecular Weight192.64 g/mol
Exact Mass192.03
IUPAC Name2-(3-chlorophenyl)-5-methylfuran
SMILESCc1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C11H9ClO/c1-8-5-6-11(13-8)9-3-2-4-10(12)7-9/h2-7H,1H3
InChIKeyHCVJGBVPALAAKE-UHFFFAOYSA-N
XLogP3.91
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.64
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methylfuran?
The IUPAC name of 2-(3-chlorophenyl)-5-methylfuran (CID 20647230) is 2-(3-chlorophenyl)-5-methylfuran.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methylfuran?
The canonical SMILES for 2-(3-chlorophenyl)-5-methylfuran is Cc1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 2-(3-chlorophenyl)-5-methylfuran?
The InChIKey is HCVJGBVPALAAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO/c1-8-5-6-11(13-8)9-3-2-4-10(12)7-9/h2-7H,1H3.
What are the key properties of 2-(3-chlorophenyl)-5-methylfuran?
2-(3-chlorophenyl)-5-methylfuran has a molecular weight of 192.64 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methylfuran is sourced from PubChem (CID 20647230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).