ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane

C19H26O — CID 143222384

IUPACethane;7-phenyl-2,3-dihydro-1-benzofuran;propane
SMILESCC.CCC.c1ccc(-c2cccc3c2OCC3)cc1
InChIInChI=1S/C14H12O.C3H8.C2H6/c1-2-5-11(6-3-1)13-8-4-7-12-9-10-15-14(12)13;1-3-2;1-2/h1-8H,9-10H2;3H2,1-2H3;1-2H3
InChIKeySHFYGBHOHRXKDC-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.73
Rot. Bonds1

About ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane

ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane (PubChem CID 143222384) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane.

Molecular Properties

Compound Nameethane;7-phenyl-2,3-dihydro-1-benzofuran;propane
PubChem CID143222384
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Nameethane;7-phenyl-2,3-dihydro-1-benzofuran;propane
SMILESCC.CCC.c1ccc(-c2cccc3c2OCC3)cc1
InChIInChI=1S/C14H12O.C3H8.C2H6/c1-2-5-11(6-3-1)13-8-4-7-12-9-10-15-14(12)13;1-3-2;1-2/h1-8H,9-10H2;3H2,1-2H3;1-2H3
InChIKeySHFYGBHOHRXKDC-UHFFFAOYSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane?
The IUPAC name of ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane (CID 143222384) is ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane.
What is the SMILES notation for ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane?
The canonical SMILES for ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane is CC.CCC.c1ccc(-c2cccc3c2OCC3)cc1.
What is the InChIKey of ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane?
The InChIKey is SHFYGBHOHRXKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O.C3H8.C2H6/c1-2-5-11(6-3-1)13-8-4-7-12-9-10-15-14(12)13;1-3-2;1-2/h1-8H,9-10H2;3H2,1-2H3;1-2H3.
What are the key properties of ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane?
ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane has a molecular weight of 270.42 g/mol, XLogP of 5.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane is sourced from PubChem (CID 143222384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).