(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol

C10H12O3 — CID 23244646

IUPAC(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol
SMILESCOc1ccc2c(c1)CC(CO)O2
InChIInChI=1S/C10H12O3/c1-12-8-2-3-10-7(4-8)5-9(6-11)13-10/h2-4,9,11H,5-6H2,1H3
InChIKeyLRIFROSFCQJXFN-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.99
Rot. Bonds2

About (5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol

(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol (PubChem CID 23244646) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol
PubChem CID23244646
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol
SMILESCOc1ccc2c(c1)CC(CO)O2
InChIInChI=1S/C10H12O3/c1-12-8-2-3-10-7(4-8)5-9(6-11)13-10/h2-4,9,11H,5-6H2,1H3
InChIKeyLRIFROSFCQJXFN-UHFFFAOYSA-N
XLogP0.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol?
The IUPAC name of (5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol (CID 23244646) is (5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol is COc1ccc2c(c1)CC(CO)O2.
What is the InChIKey of (5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol?
The InChIKey is LRIFROSFCQJXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-12-8-2-3-10-7(4-8)5-9(6-11)13-10/h2-4,9,11H,5-6H2,1H3.
What are the key properties of (5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol?
(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol has a molecular weight of 180.20 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 23244646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).