[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol

C16H13F2NO2 — CID 170871680

IUPAC[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol
SMILESCn1c(Oc2ccc(F)cc2F)c(CO)c2ccccc21
InChIInChI=1S/C16H13F2NO2/c1-19-14-5-3-2-4-11(14)12(9-20)16(19)21-15-7-6-10(17)8-13(15)18/h2-8,20H,9H2,1H3
InChIKeyVAHNMKDJHHEHIU-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.74
Rot. Bonds3

About [2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol

[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol (PubChem CID 170871680) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is [2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol.

Molecular Properties

Compound Name[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol
PubChem CID170871680
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol
SMILESCn1c(Oc2ccc(F)cc2F)c(CO)c2ccccc21
InChIInChI=1S/C16H13F2NO2/c1-19-14-5-3-2-4-11(14)12(9-20)16(19)21-15-7-6-10(17)8-13(15)18/h2-8,20H,9H2,1H3
InChIKeyVAHNMKDJHHEHIU-UHFFFAOYSA-N
XLogP3.74
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol
CID 170892609
2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol;hydrochloride
CID 170892608
methyl 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propanoate
CID 170883448
4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine
CID 170870926
(E)-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]-2-methylprop-2-enoic acid
CID 170873356
(E)-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]prop-2-enoic acid
CID 170872297
[2-(2,4-difluorophenoxy)-3-pyridinyl]methanol
CID 61256286
2-[3-(hydroxymethyl)-1-methylindol-2-yl]ethanol
CID 12666442
2,4-difluoro-1-(2-propan-2-ylphenoxy)benzene
CID 54486908
[5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 63269563
2-(3-fluorocarbazol-9-yl)ethanol
CID 90309942
N-[4-(2,4-difluorophenoxy)-3-(4-oxoquinolin-1-yl)phenyl]ethanesulfonamide
CID 146525100

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol?
The IUPAC name of [2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol (CID 170871680) is [2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol.
What is the SMILES notation for [2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol?
The canonical SMILES for [2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol is Cn1c(Oc2ccc(F)cc2F)c(CO)c2ccccc21.
What is the InChIKey of [2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol?
The InChIKey is VAHNMKDJHHEHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2/c1-19-14-5-3-2-4-11(14)12(9-20)16(19)21-15-7-6-10(17)8-13(15)18/h2-8,20H,9H2,1H3.
What are the key properties of [2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol?
[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol has a molecular weight of 289.28 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol is sourced from PubChem (CID 170871680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).