2-(2-propan-2-ylphenyl)furan

C13H14O — CID 23404422

IUPAC2-(2-propan-2-ylphenyl)furan
SMILESCC(C)c1ccccc1-c1ccco1
InChIInChI=1S/C13H14O/c1-10(2)11-6-3-4-7-12(11)13-8-5-9-14-13/h3-10H,1-2H3
InChIKeyBIFRTOTTWAQGJK-UHFFFAOYSA-N
MW186.25 g/mol
LogP4.07
Rot. Bonds2

About 2-(2-propan-2-ylphenyl)furan

2-(2-propan-2-ylphenyl)furan (PubChem CID 23404422) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenyl)furan.

Molecular Properties

Compound Name2-(2-propan-2-ylphenyl)furan
PubChem CID23404422
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name2-(2-propan-2-ylphenyl)furan
SMILESCC(C)c1ccccc1-c1ccco1
InChIInChI=1S/C13H14O/c1-10(2)11-6-3-4-7-12(11)13-8-5-9-14-13/h3-10H,1-2H3
InChIKeyBIFRTOTTWAQGJK-UHFFFAOYSA-N
XLogP4.07
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenyl)furan?
The IUPAC name of 2-(2-propan-2-ylphenyl)furan (CID 23404422) is 2-(2-propan-2-ylphenyl)furan.
What is the SMILES notation for 2-(2-propan-2-ylphenyl)furan?
The canonical SMILES for 2-(2-propan-2-ylphenyl)furan is CC(C)c1ccccc1-c1ccco1.
What is the InChIKey of 2-(2-propan-2-ylphenyl)furan?
The InChIKey is BIFRTOTTWAQGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-10(2)11-6-3-4-7-12(11)13-8-5-9-14-13/h3-10H,1-2H3.
What are the key properties of 2-(2-propan-2-ylphenyl)furan?
2-(2-propan-2-ylphenyl)furan has a molecular weight of 186.25 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenyl)furan is sourced from PubChem (CID 23404422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).