3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one

C16H15NO — CID 43912552

IUPAC3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(CC2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H15NO/c1-11-6-8-12(9-7-11)10-14-13-4-2-3-5-15(13)17-16(14)18/h2-9,14H,10H2,1H3,(H,17,18)
InChIKeyVKOVVCXUVOPKHG-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.27
Rot. Bonds2

About 3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one

3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 43912552) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID43912552
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(CC2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H15NO/c1-11-6-8-12(9-7-11)10-14-13-4-2-3-5-15(13)17-16(14)18/h2-9,14H,10H2,1H3,(H,17,18)
InChIKeyVKOVVCXUVOPKHG-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 26367123
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindol-2-one
CID 23612653
(3S)-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 26367125
6-chloro-3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 154718795
(3S)-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 26367509
(3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367502
(3S)-3-(1H-indol-6-ylmethyl)-1,3-dihydroindol-2-one
CID 51974569
(3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 51539527
oxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium
CID 175320984
(3R)-3-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 95059739
3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one
CID 2803153
2-(2-oxo-1,3-dihydroindol-3-yl)acetaldehyde
CID 22380583

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one (CID 43912552) is 3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one is Cc1ccc(CC2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is VKOVVCXUVOPKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-11-6-8-12(9-7-11)10-14-13-4-2-3-5-15(13)17-16(14)18/h2-9,14H,10H2,1H3,(H,17,18).
What are the key properties of 3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one?
3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 237.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43912552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).