1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol

C18H18F2O — CID 115803489

IUPAC1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol
SMILESOC(Cc1ccc2c(c1)CCC2)Cc1c(F)cccc1F
InChIInChI=1S/C18H18F2O/c19-17-5-2-6-18(20)16(17)11-15(21)10-12-7-8-13-3-1-4-14(13)9-12/h2,5-9,15,21H,1,3-4,10-11H2
InChIKeyPTGIUKKJDLWPAL-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.60
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol

1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol (PubChem CID 115803489) has the molecular formula C18H18F2O and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol
PubChem CID115803489
Molecular FormulaC18H18F2O
Molecular Weight288.34 g/mol
Exact Mass288.13
IUPAC Name1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol
SMILESOC(Cc1ccc2c(c1)CCC2)Cc1c(F)cccc1F
InChIInChI=1S/C18H18F2O/c19-17-5-2-6-18(20)16(17)11-15(21)10-12-7-8-13-3-1-4-14(13)9-12/h2,5-9,15,21H,1,3-4,10-11H2
InChIKeyPTGIUKKJDLWPAL-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803383
1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 114931469
[1-(2,3-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105310733
5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene
CID 79454542
5-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene
CID 66041314
1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
CID 103039559
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 65101112
1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 114931497
1-butan-2-ylsulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol
CID 65136751
1-(2,3-dihydro-1H-inden-5-yl)-5-methoxy-4-methylpentan-2-ol
CID 105101654
1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 115786894
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol (CID 115803489) is 1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol is OC(Cc1ccc2c(c1)CCC2)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol?
The InChIKey is PTGIUKKJDLWPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O/c19-17-5-2-6-18(20)16(17)11-15(21)10-12-7-8-13-3-1-4-14(13)9-12/h2,5-9,15,21H,1,3-4,10-11H2.
What are the key properties of 1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol?
1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol has a molecular weight of 288.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol is sourced from PubChem (CID 115803489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).