(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol

C16H14F2O2 — CID 82822455

IUPAC(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol
SMILESCc1ccc(F)c(C(O)C2COc3ccccc32)c1F
InChIInChI=1S/C16H14F2O2/c1-9-6-7-12(17)14(15(9)18)16(19)11-8-20-13-5-3-2-4-10(11)13/h2-7,11,16,19H,8H2,1H3
InChIKeyAMWZRITUISORIU-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.48
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol

(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol (PubChem CID 82822455) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol
PubChem CID82822455
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol
SMILESCc1ccc(F)c(C(O)C2COc3ccccc32)c1F
InChIInChI=1S/C16H14F2O2/c1-9-6-7-12(17)14(15(9)18)16(19)11-8-20-13-5-3-2-4-10(11)13/h2-7,11,16,19H,8H2,1H3
InChIKeyAMWZRITUISORIU-UHFFFAOYSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromo-4-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol
CID 81473974
1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107129103
(2,6-difluoro-3-methylphenyl)-(2-methylcyclopropyl)methanol
CID 82822778
(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethanamine
CID 96839651
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822545
[(2,3-difluorophenyl)-(2,3-dihydro-1-benzofuran-3-yl)methyl]hydrazine
CID 105262671
2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-methylphenyl)methanol
CID 107128510
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methanol
CID 114645295
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2,6-difluoro-3-methylphenyl)methanol
CID 82822204
(1R)-2-[[(1S)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]-1-(4-fluorophenyl)ethanol
CID 99822644
(2,6-difluoro-3-methylphenyl)-(2,6-difluorophenyl)methanol
CID 82820156
3-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 115484743

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol (CID 82822455) is (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol is Cc1ccc(F)c(C(O)C2COc3ccccc32)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol?
The InChIKey is AMWZRITUISORIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-9-6-7-12(17)14(15(9)18)16(19)11-8-20-13-5-3-2-4-10(11)13/h2-7,11,16,19H,8H2,1H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol?
(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol has a molecular weight of 276.28 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanol is sourced from PubChem (CID 82822455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).