1,3-benzodioxol-5-yl-(5-fluoro-2-methylphenyl)methanol

C15H13FO3 — CID 63895819

IUPAC1,3-benzodioxol-5-yl-(5-fluoro-2-methylphenyl)methanol
SMILESCc1ccc(F)cc1C(O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H13FO3/c1-9-2-4-11(16)7-12(9)15(17)10-3-5-13-14(6-10)19-8-18-13/h2-7,15,17H,8H2,1H3
InChIKeyHIJJNTFQWJQOGI-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.94
Rot. Bonds2

About 1,3-benzodioxol-5-yl-(5-fluoro-2-methylphenyl)methanol

1,3-benzodioxol-5-yl-(5-fluoro-2-methylphenyl)methanol (PubChem CID 63895819) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(5-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(5-fluoro-2-methylphenyl)methanol
PubChem CID63895819
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name1,3-benzodioxol-5-yl-(5-fluoro-2-methylphenyl)methanol
SMILESCc1ccc(F)cc1C(O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H13FO3/c1-9-2-4-11(16)7-12(9)15(17)10-3-5-13-14(6-10)19-8-18-13/h2-7,15,17H,8H2,1H3
InChIKeyHIJJNTFQWJQOGI-UHFFFAOYSA-N
XLogP2.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-fluoro-2-methylphenyl)methanol
CID 63894946
(3-fluoro-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 62789611
(2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61101642
6-[bromo-(5-fluoro-2-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63438352
(4-chloro-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 115793761
1,3-benzodioxol-5-yl-(2-methylthiophen-3-yl)methanol
CID 102829165
(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methanol
CID 55133948
(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 61099888
N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-fluoro-2-methylaniline
CID 43195454
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372772
1,3-benzodioxol-5-yl-(2,5-dichlorophenyl)methanol
CID 61082005
(4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114329952

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(5-fluoro-2-methylphenyl)methanol?
The IUPAC name of 1,3-benzodioxol-5-yl-(5-fluoro-2-methylphenyl)methanol (CID 63895819) is 1,3-benzodioxol-5-yl-(5-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(5-fluoro-2-methylphenyl)methanol?
The canonical SMILES for 1,3-benzodioxol-5-yl-(5-fluoro-2-methylphenyl)methanol is Cc1ccc(F)cc1C(O)c1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxol-5-yl-(5-fluoro-2-methylphenyl)methanol?
The InChIKey is HIJJNTFQWJQOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-9-2-4-11(16)7-12(9)15(17)10-3-5-13-14(6-10)19-8-18-13/h2-7,15,17H,8H2,1H3.
What are the key properties of 1,3-benzodioxol-5-yl-(5-fluoro-2-methylphenyl)methanol?
1,3-benzodioxol-5-yl-(5-fluoro-2-methylphenyl)methanol has a molecular weight of 260.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-(5-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 63895819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).