1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-fluoro-2-methylphenyl)ethanol

C17H17FO3 — CID 105372772

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1CC(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17FO3/c1-11-2-4-14(18)8-13(11)9-15(19)12-3-5-16-17(10-12)21-7-6-20-16/h2-5,8,10,15,19H,6-7,9H2,1H3
InChIKeyPDCXCXHEBOZQQR-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.18
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-fluoro-2-methylphenyl)ethanol

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-fluoro-2-methylphenyl)ethanol (PubChem CID 105372772) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-fluoro-2-methylphenyl)ethanol
PubChem CID105372772
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1CC(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17FO3/c1-11-2-4-14(18)8-13(11)9-15(19)12-3-5-16-17(10-12)21-7-6-20-16/h2-5,8,10,15,19H,6-7,9H2,1H3
InChIKeyPDCXCXHEBOZQQR-UHFFFAOYSA-N
XLogP3.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylphenyl)ethanol
CID 61088239
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethylphenyl)ethanol
CID 62537163
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372805
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluorophenyl)ethanol
CID 61088048
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 105372798
1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372954
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051021
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylphenyl)ethanol
CID 62792009
1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372779
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-fluoro-2-methylphenyl)methanol
CID 63894946
6-[bromo-(5-fluoro-2-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63438352
1,3-benzodioxol-5-yl-(5-fluoro-2-methylphenyl)methanol
CID 63895819

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-fluoro-2-methylphenyl)ethanol (CID 105372772) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-fluoro-2-methylphenyl)ethanol is Cc1ccc(F)cc1CC(O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-fluoro-2-methylphenyl)ethanol?
The InChIKey is PDCXCXHEBOZQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-11-2-4-14(18)8-13(11)9-15(19)12-3-5-16-17(10-12)21-7-6-20-16/h2-5,8,10,15,19H,6-7,9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-fluoro-2-methylphenyl)ethanol?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-fluoro-2-methylphenyl)ethanol has a molecular weight of 288.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 105372772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).