1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol

C14H18O2 — CID 65440315

IUPAC1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol
SMILESCCC(O)c1cc2cccc(C(C)C)c2o1
InChIInChI=1S/C14H18O2/c1-4-12(15)13-8-10-6-5-7-11(9(2)3)14(10)16-13/h5-9,12,15H,4H2,1-3H3
InChIKeyAHXDGZCHZBLREX-UHFFFAOYSA-N
MW218.30 g/mol
LogP4.00
Rot. Bonds3

About 1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol

1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol (PubChem CID 65440315) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol
PubChem CID65440315
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol
SMILESCCC(O)c1cc2cccc(C(C)C)c2o1
InChIInChI=1S/C14H18O2/c1-4-12(15)13-8-10-6-5-7-11(9(2)3)14(10)16-13/h5-9,12,15H,4H2,1-3H3
InChIKeyAHXDGZCHZBLREX-UHFFFAOYSA-N
XLogP4.00
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol?
The IUPAC name of 1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol (CID 65440315) is 1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol.
What is the SMILES notation for 1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol?
The canonical SMILES for 1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol is CCC(O)c1cc2cccc(C(C)C)c2o1.
What is the InChIKey of 1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol?
The InChIKey is AHXDGZCHZBLREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-4-12(15)13-8-10-6-5-7-11(9(2)3)14(10)16-13/h5-9,12,15H,4H2,1-3H3.
What are the key properties of 1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol?
1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol has a molecular weight of 218.30 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol is sourced from PubChem (CID 65440315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).