(3-methyl-3-phenylisoindol-1-yl)-phenylmethanone

C22H17NO — CID 10335626

IUPAC(3-methyl-3-phenylisoindol-1-yl)-phenylmethanone
SMILESCC1(c2ccccc2)N=C(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H17NO/c1-22(17-12-6-3-7-13-17)19-15-9-8-14-18(19)20(23-22)21(24)16-10-4-2-5-11-16/h2-15H,1H3
InChIKeyDNIGPMKCQRJNGT-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.64
Rot. Bonds3

About (3-methyl-3-phenylisoindol-1-yl)-phenylmethanone

(3-methyl-3-phenylisoindol-1-yl)-phenylmethanone (PubChem CID 10335626) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is (3-methyl-3-phenylisoindol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-methyl-3-phenylisoindol-1-yl)-phenylmethanone
PubChem CID10335626
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name(3-methyl-3-phenylisoindol-1-yl)-phenylmethanone
SMILESCC1(c2ccccc2)N=C(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H17NO/c1-22(17-12-6-3-7-13-17)19-15-9-8-14-18(19)20(23-22)21(24)16-10-4-2-5-11-16/h2-15H,1H3
InChIKeyDNIGPMKCQRJNGT-UHFFFAOYSA-N
XLogP4.64
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-3-phenylisoindol-1-yl)-phenylmethanone?
The IUPAC name of (3-methyl-3-phenylisoindol-1-yl)-phenylmethanone (CID 10335626) is (3-methyl-3-phenylisoindol-1-yl)-phenylmethanone.
What is the SMILES notation for (3-methyl-3-phenylisoindol-1-yl)-phenylmethanone?
The canonical SMILES for (3-methyl-3-phenylisoindol-1-yl)-phenylmethanone is CC1(c2ccccc2)N=C(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of (3-methyl-3-phenylisoindol-1-yl)-phenylmethanone?
The InChIKey is DNIGPMKCQRJNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-22(17-12-6-3-7-13-17)19-15-9-8-14-18(19)20(23-22)21(24)16-10-4-2-5-11-16/h2-15H,1H3.
What are the key properties of (3-methyl-3-phenylisoindol-1-yl)-phenylmethanone?
(3-methyl-3-phenylisoindol-1-yl)-phenylmethanone has a molecular weight of 311.38 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3-phenylisoindol-1-yl)-phenylmethanone is sourced from PubChem (CID 10335626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).