2,3-dihydro-1-benzofuran-7-yl(3,4-dihydro-2H-chromen-3-yl)methanol

C18H18O3 — CID 114744588

IUPAC2,3-dihydro-1-benzofuran-7-yl(3,4-dihydro-2H-chromen-3-yl)methanol
SMILESOC(c1cccc2c1OCC2)C1COc2ccccc2C1
InChIInChI=1S/C18H18O3/c19-17(15-6-3-5-12-8-9-20-18(12)15)14-10-13-4-1-2-7-16(13)21-11-14/h1-7,14,17,19H,8-11H2
InChIKeyGPLRIXCKBSFJQZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.91
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-7-yl(3,4-dihydro-2H-chromen-3-yl)methanol

2,3-dihydro-1-benzofuran-7-yl(3,4-dihydro-2H-chromen-3-yl)methanol (PubChem CID 114744588) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl(3,4-dihydro-2H-chromen-3-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl(3,4-dihydro-2H-chromen-3-yl)methanol
PubChem CID114744588
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2,3-dihydro-1-benzofuran-7-yl(3,4-dihydro-2H-chromen-3-yl)methanol
SMILESOC(c1cccc2c1OCC2)C1COc2ccccc2C1
InChIInChI=1S/C18H18O3/c19-17(15-6-3-5-12-8-9-20-18(12)15)14-10-13-4-1-2-7-16(13)21-11-14/h1-7,14,17,19H,8-11H2
InChIKeyGPLRIXCKBSFJQZ-UHFFFAOYSA-N
XLogP2.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl(3,4-dihydro-2H-chromen-3-yl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl(3,4-dihydro-2H-chromen-3-yl)methanol (CID 114744588) is 2,3-dihydro-1-benzofuran-7-yl(3,4-dihydro-2H-chromen-3-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl(3,4-dihydro-2H-chromen-3-yl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl(3,4-dihydro-2H-chromen-3-yl)methanol is OC(c1cccc2c1OCC2)C1COc2ccccc2C1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl(3,4-dihydro-2H-chromen-3-yl)methanol?
The InChIKey is GPLRIXCKBSFJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c19-17(15-6-3-5-12-8-9-20-18(12)15)14-10-13-4-1-2-7-16(13)21-11-14/h1-7,14,17,19H,8-11H2.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl(3,4-dihydro-2H-chromen-3-yl)methanol?
2,3-dihydro-1-benzofuran-7-yl(3,4-dihydro-2H-chromen-3-yl)methanol has a molecular weight of 282.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl(3,4-dihydro-2H-chromen-3-yl)methanol is sourced from PubChem (CID 114744588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).