3-[2-(4-fluorophenyl)ethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one

C24H22FNO2 — CID 138623779

IUPAC3-[2-(4-fluorophenyl)ethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
SMILESCc1ccccc1CN1C(=O)C(O)(CCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C24H22FNO2/c1-17-6-2-3-7-19(17)16-26-22-9-5-4-8-21(22)24(28,23(26)27)15-14-18-10-12-20(25)13-11-18/h2-13,28H,14-16H2,1H3
InChIKeyDJJRYUQDHXJOFT-UHFFFAOYSA-N
MW375.44 g/mol
LogP4.50
Rot. Bonds5

About 3-[2-(4-fluorophenyl)ethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one

3-[2-(4-fluorophenyl)ethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one (PubChem CID 138623779) has the molecular formula C24H22FNO2 and a molecular weight of 375.44 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
PubChem CID138623779
Molecular FormulaC24H22FNO2
Molecular Weight375.44 g/mol
Exact Mass375.16
IUPAC Name3-[2-(4-fluorophenyl)ethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
SMILESCc1ccccc1CN1C(=O)C(O)(CCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C24H22FNO2/c1-17-6-2-3-7-19(17)16-26-22-9-5-4-8-21(22)24(28,23(26)27)15-14-18-10-12-20(25)13-11-18/h2-13,28H,14-16H2,1H3
InChIKeyDJJRYUQDHXJOFT-UHFFFAOYSA-N
XLogP4.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
CID 2927717
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(pyridin-4-ylmethyl)indol-2-one
CID 7328364
1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(3-methylbut-2-enyl)indol-2-one
CID 132512055
(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]indol-2-one
CID 9350048
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 1216208
(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 1331654
(3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 1216206
(3S)-3-hydroxy-1-[(2-methylphenyl)methyl]-3-[(Z)-2-oxo-4-phenylbut-3-enyl]indol-2-one
CID 2364476
(3R)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 1216204
(3R)-3-hydroxy-1-[(2-methylphenyl)methyl]-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one
CID 1216212
(3R)-3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 27522911
9,9-dimethyl-10-[(2-methylphenyl)methyl]acridine
CID 123972048

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one?
The IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one (CID 138623779) is 3-[2-(4-fluorophenyl)ethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one is Cc1ccccc1CN1C(=O)C(O)(CCc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one?
The InChIKey is DJJRYUQDHXJOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO2/c1-17-6-2-3-7-19(17)16-26-22-9-5-4-8-21(22)24(28,23(26)27)15-14-18-10-12-20(25)13-11-18/h2-13,28H,14-16H2,1H3.
What are the key properties of 3-[2-(4-fluorophenyl)ethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one?
3-[2-(4-fluorophenyl)ethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one has a molecular weight of 375.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one is sourced from PubChem (CID 138623779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).