2-[(S)-(2,4-dimethylphenyl)-phenylmethyl]indene-1,3-dione

C24H20O2 — CID 1377907

IUPAC2-[(S)-(2,4-dimethylphenyl)-phenylmethyl]indene-1,3-dione
SMILESCc1ccc([C@H](c2ccccc2)C2C(=O)c3ccccc3C2=O)c(C)c1
InChIInChI=1S/C24H20O2/c1-15-12-13-18(16(2)14-15)21(17-8-4-3-5-9-17)22-23(25)19-10-6-7-11-20(19)24(22)26/h3-14,21-22H,1-2H3/t21-/m0/s1
InChIKeyMAOVHTGGKZIQJH-NRFANRHFSA-N
MW340.42 g/mol
LogP5.13
Rot. Bonds3

About 2-[(S)-(2,4-dimethylphenyl)-phenylmethyl]indene-1,3-dione

2-[(S)-(2,4-dimethylphenyl)-phenylmethyl]indene-1,3-dione (PubChem CID 1377907) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[(S)-(2,4-dimethylphenyl)-phenylmethyl]indene-1,3-dione.

Molecular Properties

Compound Name2-[(S)-(2,4-dimethylphenyl)-phenylmethyl]indene-1,3-dione
PubChem CID1377907
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Name2-[(S)-(2,4-dimethylphenyl)-phenylmethyl]indene-1,3-dione
SMILESCc1ccc([C@H](c2ccccc2)C2C(=O)c3ccccc3C2=O)c(C)c1
InChIInChI=1S/C24H20O2/c1-15-12-13-18(16(2)14-15)21(17-8-4-3-5-9-17)22-23(25)19-10-6-7-11-20(19)24(22)26/h3-14,21-22H,1-2H3/t21-/m0/s1
InChIKeyMAOVHTGGKZIQJH-NRFANRHFSA-N
XLogP5.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[phenyl-(2-propan-2-ylphenyl)methyl]indene-1,3-dione
CID 4065719
(2,4-dimethylphenyl)-phenylmethanol
CID 3807153
2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene
CID 22389703
(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine
CID 81350273
2-[(1R)-2-(3-methylphenyl)-2-oxo-1-phenylethyl]indene-1,3-dione
CID 124578457
N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685413
2,4-dimethyl-1-[1-(2-methylphenyl)ethyl]benzene
CID 54473191
2,4-dimethyl-1-(1-nitrosoethyl)benzene
CID 91440985
N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine
CID 16773686
N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide
CID 95706524
1-[(3,4-dimethylphenyl)-phenylmethyl]-2,4-dimethylbenzene
CID 54025745
4-methyl-2-phenyl-1-(1-phenylethyl)benzene
CID 123164572

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(2,4-dimethylphenyl)-phenylmethyl]indene-1,3-dione?
The IUPAC name of 2-[(S)-(2,4-dimethylphenyl)-phenylmethyl]indene-1,3-dione (CID 1377907) is 2-[(S)-(2,4-dimethylphenyl)-phenylmethyl]indene-1,3-dione.
What is the SMILES notation for 2-[(S)-(2,4-dimethylphenyl)-phenylmethyl]indene-1,3-dione?
The canonical SMILES for 2-[(S)-(2,4-dimethylphenyl)-phenylmethyl]indene-1,3-dione is Cc1ccc([C@H](c2ccccc2)C2C(=O)c3ccccc3C2=O)c(C)c1.
What is the InChIKey of 2-[(S)-(2,4-dimethylphenyl)-phenylmethyl]indene-1,3-dione?
The InChIKey is MAOVHTGGKZIQJH-NRFANRHFSA-N. The full InChI is InChI=1S/C24H20O2/c1-15-12-13-18(16(2)14-15)21(17-8-4-3-5-9-17)22-23(25)19-10-6-7-11-20(19)24(22)26/h3-14,21-22H,1-2H3/t21-/m0/s1.
What are the key properties of 2-[(S)-(2,4-dimethylphenyl)-phenylmethyl]indene-1,3-dione?
2-[(S)-(2,4-dimethylphenyl)-phenylmethyl]indene-1,3-dione has a molecular weight of 340.42 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(2,4-dimethylphenyl)-phenylmethyl]indene-1,3-dione is sourced from PubChem (CID 1377907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).