(2-chloro-6-methylphenyl)-(2,5-dimethylphenyl)phosphanylmethanone

C16H16ClOP — CID 18513613

IUPAC(2-chloro-6-methylphenyl)-(2,5-dimethylphenyl)phosphanylmethanone
SMILESCc1ccc(C)c(PC(=O)c2c(C)cccc2Cl)c1
InChIInChI=1S/C16H16ClOP/c1-10-7-8-11(2)14(9-10)19-16(18)15-12(3)5-4-6-13(15)17/h4-9,19H,1-3H3
InChIKeyOTKJGJGLAFXVOU-UHFFFAOYSA-N
MW290.73 g/mol
LogP4.41
Rot. Bonds3

About (2-chloro-6-methylphenyl)-(2,5-dimethylphenyl)phosphanylmethanone

(2-chloro-6-methylphenyl)-(2,5-dimethylphenyl)phosphanylmethanone (PubChem CID 18513613) has the molecular formula C16H16ClOP and a molecular weight of 290.73 g/mol. Its IUPAC name is (2-chloro-6-methylphenyl)-(2,5-dimethylphenyl)phosphanylmethanone.

Molecular Properties

Compound Name(2-chloro-6-methylphenyl)-(2,5-dimethylphenyl)phosphanylmethanone
PubChem CID18513613
Molecular FormulaC16H16ClOP
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name(2-chloro-6-methylphenyl)-(2,5-dimethylphenyl)phosphanylmethanone
SMILESCc1ccc(C)c(PC(=O)c2c(C)cccc2Cl)c1
InChIInChI=1S/C16H16ClOP/c1-10-7-8-11(2)14(9-10)19-16(18)15-12(3)5-4-6-13(15)17/h4-9,19H,1-3H3
InChIKeyOTKJGJGLAFXVOU-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium;(2-chloro-6-methylphenyl)-(2-methylphenyl)phosphanylmethanone;hydride
CID 173244894
CID 70013385
CID 70013385
(2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
CID 70014303
lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone
CID 18514643
(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514959
1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55224701
CID 70014966
CID 70014966
lithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride
CID 174400898
lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride
CID 173244571
2,6-dichloro-N-(2,5-dimethylphenyl)benzamide
CID 3534518
lithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide
CID 141016755
(2-chloro-6-methylphenyl)-phosphanylmethanone
CID 159149491

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methylphenyl)-(2,5-dimethylphenyl)phosphanylmethanone?
The IUPAC name of (2-chloro-6-methylphenyl)-(2,5-dimethylphenyl)phosphanylmethanone (CID 18513613) is (2-chloro-6-methylphenyl)-(2,5-dimethylphenyl)phosphanylmethanone.
What is the SMILES notation for (2-chloro-6-methylphenyl)-(2,5-dimethylphenyl)phosphanylmethanone?
The canonical SMILES for (2-chloro-6-methylphenyl)-(2,5-dimethylphenyl)phosphanylmethanone is Cc1ccc(C)c(PC(=O)c2c(C)cccc2Cl)c1.
What is the InChIKey of (2-chloro-6-methylphenyl)-(2,5-dimethylphenyl)phosphanylmethanone?
The InChIKey is OTKJGJGLAFXVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClOP/c1-10-7-8-11(2)14(9-10)19-16(18)15-12(3)5-4-6-13(15)17/h4-9,19H,1-3H3.
What are the key properties of (2-chloro-6-methylphenyl)-(2,5-dimethylphenyl)phosphanylmethanone?
(2-chloro-6-methylphenyl)-(2,5-dimethylphenyl)phosphanylmethanone has a molecular weight of 290.73 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methylphenyl)-(2,5-dimethylphenyl)phosphanylmethanone is sourced from PubChem (CID 18513613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).