(2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol

C17H17F2NO — CID 82802452

IUPAC(2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
SMILESCc1ccc(F)c(C(O)c2ccc3c(c2)CCN3C)c1F
InChIInChI=1S/C17H17F2NO/c1-10-3-5-13(18)15(16(10)19)17(21)12-4-6-14-11(9-12)7-8-20(14)2/h3-6,9,17,21H,7-8H2,1-2H3
InChIKeyKJELNLAJLDAKHR-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.35
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol

(2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol (PubChem CID 82802452) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
PubChem CID82802452
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
SMILESCc1ccc(F)c(C(O)c2ccc3c(c2)CCN3C)c1F
InChIInChI=1S/C17H17F2NO/c1-10-3-5-13(18)15(16(10)19)17(21)12-4-6-14-11(9-12)7-8-20(14)2/h3-6,9,17,21H,7-8H2,1-2H3
InChIKeyKJELNLAJLDAKHR-UHFFFAOYSA-N
XLogP3.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(2,5-dichlorophenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900549
(2-fluoro-3-methoxyphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 82791432
(2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 82799951
furan-3-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63948147
(1-methyl-2,3-dihydroindol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102829226
cyclohepten-1-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 106651079
(2,6-difluoro-3-methylphenyl)-(4-fluorophenyl)methanol
CID 82815798
2-(3-chloro-4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)ethanol
CID 103039006
3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138292
(1-methyl-2,3-dihydroindol-5-yl)-(4-propylphenyl)methanol
CID 63902192
(1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol
CID 63899931
(2-methoxy-5-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900554

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol (CID 82802452) is (2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol is Cc1ccc(F)c(C(O)c2ccc3c(c2)CCN3C)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol?
The InChIKey is KJELNLAJLDAKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-10-3-5-13(18)15(16(10)19)17(21)12-4-6-14-11(9-12)7-8-20(14)2/h3-6,9,17,21H,7-8H2,1-2H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol?
(2,6-difluoro-3-methylphenyl)-(1-methyl-2,3-dihydroindol-5-yl)methanol has a molecular weight of 289.33 g/mol, XLogP of 3.35, 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)-(1-methyl-2,3-dihydroindol-5-yl)methanol is sourced from PubChem (CID 82802452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).