3-chloro-2,5-dimethyl-1-benzofuran

C10H9ClO — CID 90163019

IUPAC3-chloro-2,5-dimethyl-1-benzofuran
SMILESCc1ccc2oc(C)c(Cl)c2c1
InChIInChI=1S/C10H9ClO/c1-6-3-4-9-8(5-6)10(11)7(2)12-9/h3-5H,1-2H3
InChIKeyXPAYNPPQLCWLHU-UHFFFAOYSA-N
MW180.63 g/mol
LogP3.70
Rot. Bonds

About 3-chloro-2,5-dimethyl-1-benzofuran

3-chloro-2,5-dimethyl-1-benzofuran (PubChem CID 90163019) has the molecular formula C10H9ClO and a molecular weight of 180.63 g/mol. Its IUPAC name is 3-chloro-2,5-dimethyl-1-benzofuran.

Molecular Properties

Compound Name3-chloro-2,5-dimethyl-1-benzofuran
PubChem CID90163019
Molecular FormulaC10H9ClO
Molecular Weight180.63 g/mol
Exact Mass180.03
IUPAC Name3-chloro-2,5-dimethyl-1-benzofuran
SMILESCc1ccc2oc(C)c(Cl)c2c1
InChIInChI=1S/C10H9ClO/c1-6-3-4-9-8(5-6)10(11)7(2)12-9/h3-5H,1-2H3
InChIKeyXPAYNPPQLCWLHU-UHFFFAOYSA-N
XLogP3.70
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5-dimethyl-1-benzofuran?
The IUPAC name of 3-chloro-2,5-dimethyl-1-benzofuran (CID 90163019) is 3-chloro-2,5-dimethyl-1-benzofuran.
What is the SMILES notation for 3-chloro-2,5-dimethyl-1-benzofuran?
The canonical SMILES for 3-chloro-2,5-dimethyl-1-benzofuran is Cc1ccc2oc(C)c(Cl)c2c1.
What is the InChIKey of 3-chloro-2,5-dimethyl-1-benzofuran?
The InChIKey is XPAYNPPQLCWLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO/c1-6-3-4-9-8(5-6)10(11)7(2)12-9/h3-5H,1-2H3.
What are the key properties of 3-chloro-2,5-dimethyl-1-benzofuran?
3-chloro-2,5-dimethyl-1-benzofuran has a molecular weight of 180.63 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5-dimethyl-1-benzofuran is sourced from PubChem (CID 90163019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).