[9-(4-fluorophenyl)-8-(hydroxymethyl)benzo[g][1,3]benzodioxol-7-yl]methanol

C19H15FO4 — CID 19353365

IUPAC[9-(4-fluorophenyl)-8-(hydroxymethyl)benzo[g][1,3]benzodioxol-7-yl]methanol
SMILESOCc1cc2ccc3c(c2c(-c2ccc(F)cc2)c1CO)OCO3
InChIInChI=1S/C19H15FO4/c20-14-4-1-11(2-5-14)17-15(9-22)13(8-21)7-12-3-6-16-19(18(12)17)24-10-23-16/h1-7,21-22H,8-10H2
InChIKeyZQAVYHGCGMUIRI-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.36
Rot. Bonds3

About [9-(4-fluorophenyl)-8-(hydroxymethyl)benzo[g][1,3]benzodioxol-7-yl]methanol

[9-(4-fluorophenyl)-8-(hydroxymethyl)benzo[g][1,3]benzodioxol-7-yl]methanol (PubChem CID 19353365) has the molecular formula C19H15FO4 and a molecular weight of 326.32 g/mol. Its IUPAC name is [9-(4-fluorophenyl)-8-(hydroxymethyl)benzo[g][1,3]benzodioxol-7-yl]methanol.

Molecular Properties

Compound Name[9-(4-fluorophenyl)-8-(hydroxymethyl)benzo[g][1,3]benzodioxol-7-yl]methanol
PubChem CID19353365
Molecular FormulaC19H15FO4
Molecular Weight326.32 g/mol
Exact Mass326.10
IUPAC Name[9-(4-fluorophenyl)-8-(hydroxymethyl)benzo[g][1,3]benzodioxol-7-yl]methanol
SMILESOCc1cc2ccc3c(c2c(-c2ccc(F)cc2)c1CO)OCO3
InChIInChI=1S/C19H15FO4/c20-14-4-1-11(2-5-14)17-15(9-22)13(8-21)7-12-3-6-16-19(18(12)17)24-10-23-16/h1-7,21-22H,8-10H2
InChIKeyZQAVYHGCGMUIRI-UHFFFAOYSA-N
XLogP3.36
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [9-(4-fluorophenyl)-8-(hydroxymethyl)benzo[g][1,3]benzodioxol-7-yl]methanol?
The IUPAC name of [9-(4-fluorophenyl)-8-(hydroxymethyl)benzo[g][1,3]benzodioxol-7-yl]methanol (CID 19353365) is [9-(4-fluorophenyl)-8-(hydroxymethyl)benzo[g][1,3]benzodioxol-7-yl]methanol.
What is the SMILES notation for [9-(4-fluorophenyl)-8-(hydroxymethyl)benzo[g][1,3]benzodioxol-7-yl]methanol?
The canonical SMILES for [9-(4-fluorophenyl)-8-(hydroxymethyl)benzo[g][1,3]benzodioxol-7-yl]methanol is OCc1cc2ccc3c(c2c(-c2ccc(F)cc2)c1CO)OCO3.
What is the InChIKey of [9-(4-fluorophenyl)-8-(hydroxymethyl)benzo[g][1,3]benzodioxol-7-yl]methanol?
The InChIKey is ZQAVYHGCGMUIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO4/c20-14-4-1-11(2-5-14)17-15(9-22)13(8-21)7-12-3-6-16-19(18(12)17)24-10-23-16/h1-7,21-22H,8-10H2.
What are the key properties of [9-(4-fluorophenyl)-8-(hydroxymethyl)benzo[g][1,3]benzodioxol-7-yl]methanol?
[9-(4-fluorophenyl)-8-(hydroxymethyl)benzo[g][1,3]benzodioxol-7-yl]methanol has a molecular weight of 326.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(4-fluorophenyl)-8-(hydroxymethyl)benzo[g][1,3]benzodioxol-7-yl]methanol is sourced from PubChem (CID 19353365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).