1,1-bis[2-(methoxymethyl)-1-benzofuran-5-yl]prop-2-en-1-ol

C23H22O5 — CID 19261737

IUPAC1,1-bis[2-(methoxymethyl)-1-benzofuran-5-yl]prop-2-en-1-ol
SMILESC=CC(O)(c1ccc2oc(COC)cc2c1)c1ccc2oc(COC)cc2c1
InChIInChI=1S/C23H22O5/c1-4-23(24,17-5-7-21-15(9-17)11-19(27-21)13-25-2)18-6-8-22-16(10-18)12-20(28-22)14-26-3/h4-12,24H,1,13-14H2,2-3H3
InChIKeyWPNPUCUSURGGMU-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.89
Rot. Bonds7

About 1,1-bis[2-(methoxymethyl)-1-benzofuran-5-yl]prop-2-en-1-ol

1,1-bis[2-(methoxymethyl)-1-benzofuran-5-yl]prop-2-en-1-ol (PubChem CID 19261737) has the molecular formula C23H22O5 and a molecular weight of 378.42 g/mol. Its IUPAC name is 1,1-bis[2-(methoxymethyl)-1-benzofuran-5-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name1,1-bis[2-(methoxymethyl)-1-benzofuran-5-yl]prop-2-en-1-ol
PubChem CID19261737
Molecular FormulaC23H22O5
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC Name1,1-bis[2-(methoxymethyl)-1-benzofuran-5-yl]prop-2-en-1-ol
SMILESC=CC(O)(c1ccc2oc(COC)cc2c1)c1ccc2oc(COC)cc2c1
InChIInChI=1S/C23H22O5/c1-4-23(24,17-5-7-21-15(9-17)11-19(27-21)13-25-2)18-6-8-22-16(10-18)12-20(28-22)14-26-3/h4-12,24H,1,13-14H2,2-3H3
InChIKeyWPNPUCUSURGGMU-UHFFFAOYSA-N
XLogP4.89
TPSA64.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis[2-(methoxymethyl)-1-benzofuran-5-yl]prop-2-en-1-ol?
The IUPAC name of 1,1-bis[2-(methoxymethyl)-1-benzofuran-5-yl]prop-2-en-1-ol (CID 19261737) is 1,1-bis[2-(methoxymethyl)-1-benzofuran-5-yl]prop-2-en-1-ol.
What is the SMILES notation for 1,1-bis[2-(methoxymethyl)-1-benzofuran-5-yl]prop-2-en-1-ol?
The canonical SMILES for 1,1-bis[2-(methoxymethyl)-1-benzofuran-5-yl]prop-2-en-1-ol is C=CC(O)(c1ccc2oc(COC)cc2c1)c1ccc2oc(COC)cc2c1.
What is the InChIKey of 1,1-bis[2-(methoxymethyl)-1-benzofuran-5-yl]prop-2-en-1-ol?
The InChIKey is WPNPUCUSURGGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O5/c1-4-23(24,17-5-7-21-15(9-17)11-19(27-21)13-25-2)18-6-8-22-16(10-18)12-20(28-22)14-26-3/h4-12,24H,1,13-14H2,2-3H3.
What are the key properties of 1,1-bis[2-(methoxymethyl)-1-benzofuran-5-yl]prop-2-en-1-ol?
1,1-bis[2-(methoxymethyl)-1-benzofuran-5-yl]prop-2-en-1-ol has a molecular weight of 378.42 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[2-(methoxymethyl)-1-benzofuran-5-yl]prop-2-en-1-ol is sourced from PubChem (CID 19261737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).