(4-dichlorophosphorylphenyl)-(3-methylphenyl)methanone

C14H11Cl2O2P — CID 141016021

IUPAC(4-dichlorophosphorylphenyl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccc(P(=O)(Cl)Cl)cc2)c1
InChIInChI=1S/C14H11Cl2O2P/c1-10-3-2-4-12(9-10)14(17)11-5-7-13(8-6-11)19(15,16)18/h2-9H,1H3
InChIKeyROIQWTFMAWVZLG-UHFFFAOYSA-N
MW313.12 g/mol
LogP4.52
Rot. Bonds3

About (4-dichlorophosphorylphenyl)-(3-methylphenyl)methanone

(4-dichlorophosphorylphenyl)-(3-methylphenyl)methanone (PubChem CID 141016021) has the molecular formula C14H11Cl2O2P and a molecular weight of 313.12 g/mol. Its IUPAC name is (4-dichlorophosphorylphenyl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-dichlorophosphorylphenyl)-(3-methylphenyl)methanone
PubChem CID141016021
Molecular FormulaC14H11Cl2O2P
Molecular Weight313.12 g/mol
Exact Mass311.99
IUPAC Name(4-dichlorophosphorylphenyl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccc(P(=O)(Cl)Cl)cc2)c1
InChIInChI=1S/C14H11Cl2O2P/c1-10-3-2-4-12(9-10)14(17)11-5-7-13(8-6-11)19(15,16)18/h2-9H,1H3
InChIKeyROIQWTFMAWVZLG-UHFFFAOYSA-N
XLogP4.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.12
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(3-methylphenyl)methanone
CID 17848
(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621
(4-chloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 112694024
(3-methylphenyl)-(4-methylsulfonylphenyl)methanone
CID 21262973
(3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone
CID 54157138
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
(3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone
CID 87107427
N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide
CID 139492461
[4-hydroxy-3-(hydroxymethyl)phenyl]-(3-methylphenyl)methanone
CID 71390287
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
diphenylphosphoryl-(3-methylphenyl)methanone
CID 57182272
(3-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 81216684

Frequently Asked Questions

What is the IUPAC name of (4-dichlorophosphorylphenyl)-(3-methylphenyl)methanone?
The IUPAC name of (4-dichlorophosphorylphenyl)-(3-methylphenyl)methanone (CID 141016021) is (4-dichlorophosphorylphenyl)-(3-methylphenyl)methanone.
What is the SMILES notation for (4-dichlorophosphorylphenyl)-(3-methylphenyl)methanone?
The canonical SMILES for (4-dichlorophosphorylphenyl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)c2ccc(P(=O)(Cl)Cl)cc2)c1.
What is the InChIKey of (4-dichlorophosphorylphenyl)-(3-methylphenyl)methanone?
The InChIKey is ROIQWTFMAWVZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2O2P/c1-10-3-2-4-12(9-10)14(17)11-5-7-13(8-6-11)19(15,16)18/h2-9H,1H3.
What are the key properties of (4-dichlorophosphorylphenyl)-(3-methylphenyl)methanone?
(4-dichlorophosphorylphenyl)-(3-methylphenyl)methanone has a molecular weight of 313.12 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dichlorophosphorylphenyl)-(3-methylphenyl)methanone is sourced from PubChem (CID 141016021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).