2-(3-methylphenyl)furan

C11H10O — CID 13245927

IUPAC2-(3-methylphenyl)furan
SMILESCc1cccc(-c2ccco2)c1
InChIInChI=1S/C11H10O/c1-9-4-2-5-10(8-9)11-6-3-7-12-11/h2-8H,1H3
InChIKeyIYNRBNBBOCKFBQ-UHFFFAOYSA-N
MW158.20 g/mol
LogP3.26
Rot. Bonds1

About 2-(3-methylphenyl)furan

2-(3-methylphenyl)furan (PubChem CID 13245927) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(3-methylphenyl)furan.

Molecular Properties

Compound Name2-(3-methylphenyl)furan
PubChem CID13245927
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name2-(3-methylphenyl)furan
SMILESCc1cccc(-c2ccco2)c1
InChIInChI=1S/C11H10O/c1-9-4-2-5-10(8-9)11-6-3-7-12-11/h2-8H,1H3
InChIKeyIYNRBNBBOCKFBQ-UHFFFAOYSA-N
XLogP3.26
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)furan?
The IUPAC name of 2-(3-methylphenyl)furan (CID 13245927) is 2-(3-methylphenyl)furan.
What is the SMILES notation for 2-(3-methylphenyl)furan?
The canonical SMILES for 2-(3-methylphenyl)furan is Cc1cccc(-c2ccco2)c1.
What is the InChIKey of 2-(3-methylphenyl)furan?
The InChIKey is IYNRBNBBOCKFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c1-9-4-2-5-10(8-9)11-6-3-7-12-11/h2-8H,1H3.
What are the key properties of 2-(3-methylphenyl)furan?
2-(3-methylphenyl)furan has a molecular weight of 158.20 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)furan is sourced from PubChem (CID 13245927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).