2-(2-chloro-3-methylphenyl)furan

C11H9ClO — CID 168528578

IUPAC2-(2-chloro-3-methylphenyl)furan
SMILESCc1cccc(-c2ccco2)c1Cl
InChIInChI=1S/C11H9ClO/c1-8-4-2-5-9(11(8)12)10-6-3-7-13-10/h2-7H,1H3
InChIKeyDDGHKWCQLKSAFP-UHFFFAOYSA-N
MW192.65 g/mol
LogP3.91
Rot. Bonds1

About 2-(2-chloro-3-methylphenyl)furan

2-(2-chloro-3-methylphenyl)furan (PubChem CID 168528578) has the molecular formula C11H9ClO and a molecular weight of 192.65 g/mol. Its IUPAC name is 2-(2-chloro-3-methylphenyl)furan.

Molecular Properties

Compound Name2-(2-chloro-3-methylphenyl)furan
PubChem CID168528578
Molecular FormulaC11H9ClO
Molecular Weight192.65 g/mol
Exact Mass192.03
IUPAC Name2-(2-chloro-3-methylphenyl)furan
SMILESCc1cccc(-c2ccco2)c1Cl
InChIInChI=1S/C11H9ClO/c1-8-4-2-5-9(11(8)12)10-6-3-7-13-10/h2-7H,1H3
InChIKeyDDGHKWCQLKSAFP-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 ≤ 500192.65
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-(2-chloro-3-methylphenyl)furan?
The IUPAC name of 2-(2-chloro-3-methylphenyl)furan (CID 168528578) is 2-(2-chloro-3-methylphenyl)furan.
What is the SMILES notation for 2-(2-chloro-3-methylphenyl)furan?
The canonical SMILES for 2-(2-chloro-3-methylphenyl)furan is Cc1cccc(-c2ccco2)c1Cl.
What is the InChIKey of 2-(2-chloro-3-methylphenyl)furan?
The InChIKey is DDGHKWCQLKSAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO/c1-8-4-2-5-9(11(8)12)10-6-3-7-13-10/h2-7H,1H3.
What are the key properties of 2-(2-chloro-3-methylphenyl)furan?
2-(2-chloro-3-methylphenyl)furan has a molecular weight of 192.65 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-(2-chloro-3-methylphenyl)furan is sourced from PubChem (CID 168528578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).