6-[3-[4-(2-hydroxyethyl)phenoxy]propyl]-2,3-dihydro-1-benzofuran-5-ol

C19H22O4 — CID 14484909

IUPAC6-[3-[4-(2-hydroxyethyl)phenoxy]propyl]-2,3-dihydro-1-benzofuran-5-ol
SMILESOCCc1ccc(OCCCc2cc3c(cc2O)CCO3)cc1
InChIInChI=1S/C19H22O4/c20-9-7-14-3-5-17(6-4-14)22-10-1-2-15-13-19-16(8-11-23-19)12-18(15)21/h3-6,12-13,20-21H,1-2,7-11H2
InChIKeyXMPSDENXAVLVEU-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.87
Rot. Bonds7

About 6-[3-[4-(2-hydroxyethyl)phenoxy]propyl]-2,3-dihydro-1-benzofuran-5-ol

6-[3-[4-(2-hydroxyethyl)phenoxy]propyl]-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 14484909) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 6-[3-[4-(2-hydroxyethyl)phenoxy]propyl]-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name6-[3-[4-(2-hydroxyethyl)phenoxy]propyl]-2,3-dihydro-1-benzofuran-5-ol
PubChem CID14484909
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name6-[3-[4-(2-hydroxyethyl)phenoxy]propyl]-2,3-dihydro-1-benzofuran-5-ol
SMILESOCCc1ccc(OCCCc2cc3c(cc2O)CCO3)cc1
InChIInChI=1S/C19H22O4/c20-9-7-14-3-5-17(6-4-14)22-10-1-2-15-13-19-16(8-11-23-19)12-18(15)21/h3-6,12-13,20-21H,1-2,7-11H2
InChIKeyXMPSDENXAVLVEU-UHFFFAOYSA-N
XLogP2.87
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(2-hydroxyethyl)phenoxy]propyl]-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 6-[3-[4-(2-hydroxyethyl)phenoxy]propyl]-2,3-dihydro-1-benzofuran-5-ol (CID 14484909) is 6-[3-[4-(2-hydroxyethyl)phenoxy]propyl]-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 6-[3-[4-(2-hydroxyethyl)phenoxy]propyl]-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 6-[3-[4-(2-hydroxyethyl)phenoxy]propyl]-2,3-dihydro-1-benzofuran-5-ol is OCCc1ccc(OCCCc2cc3c(cc2O)CCO3)cc1.
What is the InChIKey of 6-[3-[4-(2-hydroxyethyl)phenoxy]propyl]-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is XMPSDENXAVLVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c20-9-7-14-3-5-17(6-4-14)22-10-1-2-15-13-19-16(8-11-23-19)12-18(15)21/h3-6,12-13,20-21H,1-2,7-11H2.
What are the key properties of 6-[3-[4-(2-hydroxyethyl)phenoxy]propyl]-2,3-dihydro-1-benzofuran-5-ol?
6-[3-[4-(2-hydroxyethyl)phenoxy]propyl]-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 314.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(2-hydroxyethyl)phenoxy]propyl]-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 14484909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).