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

C17H16FNO3 — CID 82173591

IUPAC7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCOc1ccc(C(O)c2cc(F)c3c(c2)C(C)C(=O)N3)cc1
InChIInChI=1S/C17H16FNO3/c1-9-13-7-11(8-14(18)15(13)19-17(9)21)16(20)10-3-5-12(22-2)6-4-10/h3-9,16,20H,1-2H3,(H,19,21)
InChIKeyMOWDRQSUPLNHOK-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.97
Rot. Bonds3

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

7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82173591) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is 7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one
PubChem CID82173591
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCOc1ccc(C(O)c2cc(F)c3c(c2)C(C)C(=O)N3)cc1
InChIInChI=1S/C17H16FNO3/c1-9-13-7-11(8-14(18)15(13)19-17(9)21)16(20)10-3-5-12(22-2)6-4-10/h3-9,16,20H,1-2H3,(H,19,21)
InChIKeyMOWDRQSUPLNHOK-UHFFFAOYSA-N
XLogP2.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-5-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one
CID 82173579
7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 82173545
7-[amino-(4-methoxyphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82173241
(3-fluoro-4-methylphenyl)-(4-methoxyphenyl)methanol
CID 60798694
(4-fluoro-3,5-dimethylphenyl)-(4-methoxyphenyl)methanol
CID 65296830
7-[hydroxy-(3-methoxyphenyl)methyl]-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82172489
(4-fluoro-3-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 81285020
(3-fluoro-5-methylphenyl)-(4-methoxyphenyl)methanol
CID 79691470
methyl 3-(7-fluoro-3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-oxopropanoate
CID 82667149
(3,5-dichlorophenyl)-(4-methoxyphenyl)methanol
CID 61100898
[3,5-bis(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanol
CID 3625167
(S)-(3-fluorophenyl)-(4-methoxyphenyl)methanol
CID 7154378

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one (CID 82173591) is 7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one is COc1ccc(C(O)c2cc(F)c3c(c2)C(C)C(=O)N3)cc1.
What is the InChIKey of 7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is MOWDRQSUPLNHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-9-13-7-11(8-14(18)15(13)19-17(9)21)16(20)10-3-5-12(22-2)6-4-10/h3-9,16,20H,1-2H3,(H,19,21).
What are the key properties of 7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one?
7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 301.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).