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

C16H14FNO3 — CID 82173545

IUPAC7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCOc1ccc(C(O)c2cc(F)c3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C16H14FNO3/c1-21-12-4-2-9(3-5-12)16(20)11-6-10-8-14(19)18-15(10)13(17)7-11/h2-7,16,20H,8H2,1H3,(H,18,19)
InChIKeyQPYAJGWTRFJBRK-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.41
Rot. Bonds3

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

7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 82173545) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID82173545
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCOc1ccc(C(O)c2cc(F)c3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C16H14FNO3/c1-21-12-4-2-9(3-5-12)16(20)11-6-10-8-14(19)18-15(10)13(17)7-11/h2-7,16,20H,8H2,1H3,(H,18,19)
InChIKeyQPYAJGWTRFJBRK-UHFFFAOYSA-N
XLogP2.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-[hydroxy-(4-methoxyphenyl)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173078
5-[(3-fluoro-4-methoxyphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 62920423
7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one
CID 82173591
7-fluoro-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 82173521
5-[hydroxy-(4-methylphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 82172749
6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 19854729
(3-fluoro-4-methylphenyl)-(4-methoxyphenyl)methanol
CID 60798694
7-fluoro-5-propan-2-yloxy-1,3-dihydroindol-2-one
CID 71144685
(4-fluoro-3,5-dimethylphenyl)-(4-methoxyphenyl)methanol
CID 65296830
(4-fluoro-3-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 81285020
5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61087016
7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one
CID 82173542

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one (CID 82173545) is 7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one is COc1ccc(C(O)c2cc(F)c3c(c2)CC(=O)N3)cc1.
What is the InChIKey of 7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is QPYAJGWTRFJBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-21-12-4-2-9(3-5-12)16(20)11-6-10-8-14(19)18-15(10)13(17)7-11/h2-7,16,20H,8H2,1H3,(H,18,19).
What are the key properties of 7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one?
7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 287.29 g/mol, XLogP of 2.41, 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]-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).