1-[7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]propan-2-ol

C15H22O4 — CID 44557648

IUPAC1-[7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]propan-2-ol
SMILESCC(O)Cc1ccc2c(c1CO)OC(C(C)(C)O)C2
InChIInChI=1S/C15H22O4/c1-9(17)6-10-4-5-11-7-13(15(2,3)18)19-14(11)12(10)8-16/h4-5,9,13,16-18H,6-8H2,1-3H3
InChIKeyVRJXHZFMWFCEBQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.18
Rot. Bonds4

About 1-[7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]propan-2-ol

1-[7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]propan-2-ol (PubChem CID 44557648) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]propan-2-ol.

Molecular Properties

Compound Name1-[7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]propan-2-ol
PubChem CID44557648
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1-[7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]propan-2-ol
SMILESCC(O)Cc1ccc2c(c1CO)OC(C(C)(C)O)C2
InChIInChI=1S/C15H22O4/c1-9(17)6-10-4-5-11-7-13(15(2,3)18)19-14(11)12(10)8-16/h4-5,9,13,16-18H,6-8H2,1-3H3
InChIKeyVRJXHZFMWFCEBQ-UHFFFAOYSA-N
XLogP1.18
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]propan-2-ol?
The IUPAC name of 1-[7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]propan-2-ol (CID 44557648) is 1-[7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]propan-2-ol.
What is the SMILES notation for 1-[7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]propan-2-ol?
The canonical SMILES for 1-[7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]propan-2-ol is CC(O)Cc1ccc2c(c1CO)OC(C(C)(C)O)C2.
What is the InChIKey of 1-[7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]propan-2-ol?
The InChIKey is VRJXHZFMWFCEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-9(17)6-10-4-5-11-7-13(15(2,3)18)19-14(11)12(10)8-16/h4-5,9,13,16-18H,6-8H2,1-3H3.
What are the key properties of 1-[7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]propan-2-ol?
1-[7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]propan-2-ol has a molecular weight of 266.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]propan-2-ol is sourced from PubChem (CID 44557648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).