ethane;3-phenylfuran

C12H14O — CID 91349399

IUPACethane;3-phenylfuran
SMILESCC.c1ccc(-c2ccoc2)cc1
InChIInChI=1S/C10H8O.C2H6/c1-2-4-9(5-3-1)10-6-7-11-8-10;1-2/h1-8H;1-2H3
InChIKeyDXOQYWUNIZKDSM-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.97
Rot. Bonds1

About ethane;3-phenylfuran

ethane;3-phenylfuran (PubChem CID 91349399) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is ethane;3-phenylfuran.

Molecular Properties

Compound Nameethane;3-phenylfuran
PubChem CID91349399
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Nameethane;3-phenylfuran
SMILESCC.c1ccc(-c2ccoc2)cc1
InChIInChI=1S/C10H8O.C2H6/c1-2-4-9(5-3-1)10-6-7-11-8-10;1-2/h1-8H;1-2H3
InChIKeyDXOQYWUNIZKDSM-UHFFFAOYSA-N
XLogP3.97
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-phenylfuran?
The IUPAC name of ethane;3-phenylfuran (CID 91349399) is ethane;3-phenylfuran.
What is the SMILES notation for ethane;3-phenylfuran?
The canonical SMILES for ethane;3-phenylfuran is CC.c1ccc(-c2ccoc2)cc1.
What is the InChIKey of ethane;3-phenylfuran?
The InChIKey is DXOQYWUNIZKDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O.C2H6/c1-2-4-9(5-3-1)10-6-7-11-8-10;1-2/h1-8H;1-2H3.
What are the key properties of ethane;3-phenylfuran?
ethane;3-phenylfuran has a molecular weight of 174.24 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-phenylfuran is sourced from PubChem (CID 91349399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).