7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-2,3-dihydro-1H-inden-1-ol

C17H15F3O5S — CID 123615579

IUPAC7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-2,3-dihydro-1H-inden-1-ol
SMILESCOc1cc(F)cc(Oc2ccc(S(=O)(=O)C(F)F)c3c2CCC3O)c1
InChIInChI=1S/C17H15F3O5S/c1-24-10-6-9(18)7-11(8-10)25-14-4-5-15(26(22,23)17(19)20)16-12(14)2-3-13(16)21/h4-8,13,17,21H,2-3H2,1H3
InChIKeyVMZQPCREYIMSTA-UHFFFAOYSA-N
MW388.36 g/mol
LogP3.60
Rot. Bonds5

About 7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-2,3-dihydro-1H-inden-1-ol

7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-2,3-dihydro-1H-inden-1-ol (PubChem CID 123615579) has the molecular formula C17H15F3O5S and a molecular weight of 388.36 g/mol. Its IUPAC name is 7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-2,3-dihydro-1H-inden-1-ol
PubChem CID123615579
Molecular FormulaC17H15F3O5S
Molecular Weight388.36 g/mol
Exact Mass388.06
IUPAC Name7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-2,3-dihydro-1H-inden-1-ol
SMILESCOc1cc(F)cc(Oc2ccc(S(=O)(=O)C(F)F)c3c2CCC3O)c1
InChIInChI=1S/C17H15F3O5S/c1-24-10-6-9(18)7-11(8-10)25-14-4-5-15(26(22,23)17(19)20)16-12(14)2-3-13(16)21/h4-8,13,17,21H,2-3H2,1H3
InChIKeyVMZQPCREYIMSTA-UHFFFAOYSA-N
XLogP3.60
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-2,3-dihydro-1H-inden-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-1-methyl-2,3-dihydro-1H-indene
CID 163936269
(1R,2S)-7-(difluoromethylsulfonyl)-4-(3,5-difluorophenoxy)-2,3-dihydro-1H-indene-1,2-diol
CID 122506320
4-(3-chloro-5-fluorophenoxy)-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
CID 123784434
(1S)-4-(3-chloro-5-fluorophenoxy)-7-methyl-2,3-dihydro-1H-inden-1-ol
CID 126738390
3-[[(1S)-2,2-difluoro-1-hydroxy-7-propan-2-ylsulfonyl-1,3-dihydroinden-4-yl]oxy]-5-fluorobenzonitrile
CID 164715202
CID 156588551
CID 156588551
7-(3,5-difluorophenoxy)-2-fluoro-3-hydroxy-N,2-dimethyl-1,3-dihydroindene-4-sulfonamide
CID 123973481
4-(3-chloro-5-fluorophenoxy)-2-fluoro-7-methylsulfonyl-2-phosphanyl-1,3-dihydroinden-1-ol
CID 123735158
(3Z)-4-(3-fluoro-5-methylphenoxy)-3-(hydroxymethylidene)-7-(trifluoromethylsulfonyl)-1,2-dihydroinden-1-ol
CID 162573243
4-piperidin-4-yloxy-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
CID 134259172
(1S)-4-(cyclopropylmethoxy)-7-(difluoromethylsulfonyl)-2,2-difluoro-1,3-dihydroinden-1-ol
CID 134259326
N-[4-(difluoromethylsulfonyl)phenyl]-3-fluoro-5-methoxyaniline
CID 133430319

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-2,3-dihydro-1H-inden-1-ol (CID 123615579) is 7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-2,3-dihydro-1H-inden-1-ol is COc1cc(F)cc(Oc2ccc(S(=O)(=O)C(F)F)c3c2CCC3O)c1.
What is the InChIKey of 7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is VMZQPCREYIMSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O5S/c1-24-10-6-9(18)7-11(8-10)25-14-4-5-15(26(22,23)17(19)20)16-12(14)2-3-13(16)21/h4-8,13,17,21H,2-3H2,1H3.
What are the key properties of 7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-2,3-dihydro-1H-inden-1-ol?
7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 388.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 123615579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).