[chloro-bis(2-methylbenzoyl)stannyl]-(2-methylphenyl)methanone

C24H21ClO3Sn — CID 150785271

IUPAC[chloro-bis(2-methylbenzoyl)stannyl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)[Sn](Cl)(C(=O)c1ccccc1C)C(=O)c1ccccc1C
InChIInChI=1S/3C8H7O.ClH.Sn/c3*1-7-4-2-3-5-8(7)6-9;;/h3*2-5H,1H3;1H;/q;;;;+1/p-1
InChIKeyKCSGHFLTFBPFSB-UHFFFAOYSA-M
MW511.59 g/mol
LogP5.36
Rot. Bonds6

About [chloro-bis(2-methylbenzoyl)stannyl]-(2-methylphenyl)methanone

[chloro-bis(2-methylbenzoyl)stannyl]-(2-methylphenyl)methanone (PubChem CID 150785271) has the molecular formula C24H21ClO3Sn and a molecular weight of 511.59 g/mol. Its IUPAC name is [chloro-bis(2-methylbenzoyl)stannyl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[chloro-bis(2-methylbenzoyl)stannyl]-(2-methylphenyl)methanone
PubChem CID150785271
Molecular FormulaC24H21ClO3Sn
Molecular Weight511.59 g/mol
Exact Mass512.02
IUPAC Name[chloro-bis(2-methylbenzoyl)stannyl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)[Sn](Cl)(C(=O)c1ccccc1C)C(=O)c1ccccc1C
InChIInChI=1S/3C8H7O.ClH.Sn/c3*1-7-4-2-3-5-8(7)6-9;;/h3*2-5H,1H3;1H;/q;;;;+1/p-1
InChIKeyKCSGHFLTFBPFSB-UHFFFAOYSA-M
XLogP5.36
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.59
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
2-methylbenzoic acid;propan-2-one;1,2-xylene
CID 68779004
ethane;1-(2-methylphenyl)ethanone
CID 91374073
tris(2-methylbenzoyl)sulfanium
CID 142714960
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
2,3-dihydroxy-2,3-bis(2-methylbenzoyl)butanedioic acid;(2R,3R)-2,3-dihydroxy-2,3-bis(2-methylbenzoyl)butanedioic acid
CID 175767043
N-chloro-N,2-dimethylbenzamide
CID 166437996
(Z)-4-(2-methylphenyl)pent-3-en-2-one
CID 67605542
lithium;hydride;2-methylbenzoic acid;N-methylmethanamine
CID 173248738

Frequently Asked Questions

What is the IUPAC name of [chloro-bis(2-methylbenzoyl)stannyl]-(2-methylphenyl)methanone?
The IUPAC name of [chloro-bis(2-methylbenzoyl)stannyl]-(2-methylphenyl)methanone (CID 150785271) is [chloro-bis(2-methylbenzoyl)stannyl]-(2-methylphenyl)methanone.
What is the SMILES notation for [chloro-bis(2-methylbenzoyl)stannyl]-(2-methylphenyl)methanone?
The canonical SMILES for [chloro-bis(2-methylbenzoyl)stannyl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)[Sn](Cl)(C(=O)c1ccccc1C)C(=O)c1ccccc1C.
What is the InChIKey of [chloro-bis(2-methylbenzoyl)stannyl]-(2-methylphenyl)methanone?
The InChIKey is KCSGHFLTFBPFSB-UHFFFAOYSA-M. The full InChI is InChI=1S/3C8H7O.ClH.Sn/c3*1-7-4-2-3-5-8(7)6-9;;/h3*2-5H,1H3;1H;/q;;;;+1/p-1.
What are the key properties of [chloro-bis(2-methylbenzoyl)stannyl]-(2-methylphenyl)methanone?
[chloro-bis(2-methylbenzoyl)stannyl]-(2-methylphenyl)methanone has a molecular weight of 511.59 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro-bis(2-methylbenzoyl)stannyl]-(2-methylphenyl)methanone is sourced from PubChem (CID 150785271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).