7-fluoro-5-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one

C17H16FNO2 — CID 82173579

IUPAC7-fluoro-5-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc(C(O)c2cc(F)c3c(c2)C(C)C(=O)N3)cc1
InChIInChI=1S/C17H16FNO2/c1-9-3-5-11(6-4-9)16(20)12-7-13-10(2)17(21)19-15(13)14(18)8-12/h3-8,10,16,20H,1-2H3,(H,19,21)
InChIKeyYEIXQCVYNGZBCZ-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.27
Rot. Bonds2

About 7-fluoro-5-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one

7-fluoro-5-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82173579) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 7-fluoro-5-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-5-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one
PubChem CID82173579
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name7-fluoro-5-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc(C(O)c2cc(F)c3c(c2)C(C)C(=O)N3)cc1
InChIInChI=1S/C17H16FNO2/c1-9-3-5-11(6-4-9)16(20)12-7-13-10(2)17(21)19-15(13)14(18)8-12/h3-8,10,16,20H,1-2H3,(H,19,21)
InChIKeyYEIXQCVYNGZBCZ-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one
CID 82173591
7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one
CID 82173571
5-(1-amino-2-methylpropyl)-3,7-dimethyl-1,3-dihydroindol-2-one
CID 82172765
5-(1-hydroxypentyl)-3,7-dimethyl-1,3-dihydroindol-2-one
CID 82172787
(R)-(3,5-dimethylphenyl)-(4-fluorophenyl)methanol
CID 7154269
methyl 3-(7-fluoro-3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-oxopropanoate
CID 82667149
5-[hydroxy-(4-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172749
7-[amino-(3-methylphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82173237
(4-methylphenyl)-[4-(4-methylphenyl)phenyl]methanol
CID 143325793
3-ethyl-5-[(2-fluorophenyl)-hydroxymethyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172845
7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 82173545
5-[furan-2-yl(hydroxy)methyl]-3,6,7-trimethyl-1,3-dihydroindol-2-one
CID 82173107

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-5-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one (CID 82173579) is 7-fluoro-5-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-5-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-5-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one is Cc1ccc(C(O)c2cc(F)c3c(c2)C(C)C(=O)N3)cc1.
What is the InChIKey of 7-fluoro-5-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is YEIXQCVYNGZBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-9-3-5-11(6-4-9)16(20)12-7-13-10(2)17(21)19-15(13)14(18)8-12/h3-8,10,16,20H,1-2H3,(H,19,21).
What are the key properties of 7-fluoro-5-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one?
7-fluoro-5-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 285.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).