2-[4-[2-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]phenoxy]ethanol

C19H22O3 — CID 58571261

IUPAC2-[4-[2-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]phenoxy]ethanol
SMILESCc1ccc2c(c1)OC(CCc1ccc(OCCO)cc1)C2
InChIInChI=1S/C19H22O3/c1-14-2-6-16-13-18(22-19(16)12-14)9-5-15-3-7-17(8-4-15)21-11-10-20/h2-4,6-8,12,18,20H,5,9-11,13H2,1H3
InChIKeyTWUKODWSIDEPQR-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.30
Rot. Bonds6

About 2-[4-[2-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]phenoxy]ethanol

2-[4-[2-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]phenoxy]ethanol (PubChem CID 58571261) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[4-[2-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[2-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]phenoxy]ethanol
PubChem CID58571261
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name2-[4-[2-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]phenoxy]ethanol
SMILESCc1ccc2c(c1)OC(CCc1ccc(OCCO)cc1)C2
InChIInChI=1S/C19H22O3/c1-14-2-6-16-13-18(22-19(16)12-14)9-5-15-3-7-17(8-4-15)21-11-10-20/h2-4,6-8,12,18,20H,5,9-11,13H2,1H3
InChIKeyTWUKODWSIDEPQR-UHFFFAOYSA-N
XLogP3.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[2-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]phenoxy]ethanol (CID 58571261) is 2-[4-[2-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[2-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[2-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]phenoxy]ethanol is Cc1ccc2c(c1)OC(CCc1ccc(OCCO)cc1)C2.
What is the InChIKey of 2-[4-[2-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]phenoxy]ethanol?
The InChIKey is TWUKODWSIDEPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-14-2-6-16-13-18(22-19(16)12-14)9-5-15-3-7-17(8-4-15)21-11-10-20/h2-4,6-8,12,18,20H,5,9-11,13H2,1H3.
What are the key properties of 2-[4-[2-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]phenoxy]ethanol?
2-[4-[2-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]phenoxy]ethanol has a molecular weight of 298.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]phenoxy]ethanol is sourced from PubChem (CID 58571261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).