7-butyl-2,3-dihydro-1-benzofuran-6-ol;ethane

C14H22O2 — CID 177208439

IUPAC7-butyl-2,3-dihydro-1-benzofuran-6-ol;ethane
SMILESCC.CCCCc1c(O)ccc2c1OCC2
InChIInChI=1S/C12H16O2.C2H6/c1-2-3-4-10-11(13)6-5-9-7-8-14-12(9)10;1-2/h5-6,13H,2-4,7-8H2,1H3;1-2H3
InChIKeyWQAVJNRTEPCLAJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.70
Rot. Bonds3

About 7-butyl-2,3-dihydro-1-benzofuran-6-ol;ethane

7-butyl-2,3-dihydro-1-benzofuran-6-ol;ethane (PubChem CID 177208439) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 7-butyl-2,3-dihydro-1-benzofuran-6-ol;ethane.

Molecular Properties

Compound Name7-butyl-2,3-dihydro-1-benzofuran-6-ol;ethane
PubChem CID177208439
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name7-butyl-2,3-dihydro-1-benzofuran-6-ol;ethane
SMILESCC.CCCCc1c(O)ccc2c1OCC2
InChIInChI=1S/C12H16O2.C2H6/c1-2-3-4-10-11(13)6-5-9-7-8-14-12(9)10;1-2/h5-6,13H,2-4,7-8H2,1H3;1-2H3
InChIKeyWQAVJNRTEPCLAJ-UHFFFAOYSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-2,3-dihydro-1-benzofuran-6-ol;ethane?
The IUPAC name of 7-butyl-2,3-dihydro-1-benzofuran-6-ol;ethane (CID 177208439) is 7-butyl-2,3-dihydro-1-benzofuran-6-ol;ethane.
What is the SMILES notation for 7-butyl-2,3-dihydro-1-benzofuran-6-ol;ethane?
The canonical SMILES for 7-butyl-2,3-dihydro-1-benzofuran-6-ol;ethane is CC.CCCCc1c(O)ccc2c1OCC2.
What is the InChIKey of 7-butyl-2,3-dihydro-1-benzofuran-6-ol;ethane?
The InChIKey is WQAVJNRTEPCLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2.C2H6/c1-2-3-4-10-11(13)6-5-9-7-8-14-12(9)10;1-2/h5-6,13H,2-4,7-8H2,1H3;1-2H3.
What are the key properties of 7-butyl-2,3-dihydro-1-benzofuran-6-ol;ethane?
7-butyl-2,3-dihydro-1-benzofuran-6-ol;ethane has a molecular weight of 222.33 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-2,3-dihydro-1-benzofuran-6-ol;ethane is sourced from PubChem (CID 177208439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).