6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol

C14H11FO3 — CID 102584547

IUPAC6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol
SMILESOc1cc2c(cc1Cc1ccc(F)cc1)OCO2
InChIInChI=1S/C14H11FO3/c15-11-3-1-9(2-4-11)5-10-6-13-14(7-12(10)16)18-8-17-13/h1-4,6-7,16H,5,8H2
InChIKeyYNTTXUSBGIOAQG-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.85
Rot. Bonds2

About 6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol

6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol (PubChem CID 102584547) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol
PubChem CID102584547
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol
SMILESOc1cc2c(cc1Cc1ccc(F)cc1)OCO2
InChIInChI=1S/C14H11FO3/c15-11-3-1-9(2-4-11)5-10-6-13-14(7-12(10)16)18-8-17-13/h1-4,6-7,16H,5,8H2
InChIKeyYNTTXUSBGIOAQG-UHFFFAOYSA-N
XLogP2.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzyl-1,3-benzodioxol-5-ol
CID 14640212
6-[(3,4-dimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol
CID 71517955
4-[(4-fluorophenyl)methyl]benzene-1,3-diol
CID 164899043
6-(bromomethyl)-1,3-benzodioxol-5-ol
CID 130132308
5-[(4-fluorophenyl)methyl]-6-(4-methylsulfonylphenyl)-1,3-benzodioxole
CID 11315114
6-[(2R,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxol-5-ol
CID 155553936
6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol
CID 12032543
ethyl N-[4-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]phenyl]carbamate
CID 153328064
6-[(R)-(4-fluorophenyl)-[4-[(R)-(4-fluorophenyl)-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol
CID 92573449
4-[(2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol
CID 141114288
2-fluoro-4-[(4-fluorophenyl)methyl]phenol
CID 151291019
N-(4-fluorophenyl)-2-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]acetamide
CID 9330376

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol (CID 102584547) is 6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol is Oc1cc2c(cc1Cc1ccc(F)cc1)OCO2.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol?
The InChIKey is YNTTXUSBGIOAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c15-11-3-1-9(2-4-11)5-10-6-13-14(7-12(10)16)18-8-17-13/h1-4,6-7,16H,5,8H2.
What are the key properties of 6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol?
6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol has a molecular weight of 246.24 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol is sourced from PubChem (CID 102584547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).