(2,6-dimethylphenyl) 2-[methyl(phenyl)phosphanyl]benzoate

C22H21O2P — CID 24755089

IUPAC(2,6-dimethylphenyl) 2-[methyl(phenyl)phosphanyl]benzoate
SMILESCc1cccc(C)c1OC(=O)c1ccccc1P(C)c1ccccc1
InChIInChI=1S/C22H21O2P/c1-16-10-9-11-17(2)21(16)24-22(23)19-14-7-8-15-20(19)25(3)18-12-5-4-6-13-18/h4-15H,1-3H3
InChIKeyANYTUUCWXNSFCV-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.59
Rot. Bonds4

About (2,6-dimethylphenyl) 2-[methyl(phenyl)phosphanyl]benzoate

(2,6-dimethylphenyl) 2-[methyl(phenyl)phosphanyl]benzoate (PubChem CID 24755089) has the molecular formula C22H21O2P and a molecular weight of 348.38 g/mol. Its IUPAC name is (2,6-dimethylphenyl) 2-[methyl(phenyl)phosphanyl]benzoate.

Molecular Properties

Compound Name(2,6-dimethylphenyl) 2-[methyl(phenyl)phosphanyl]benzoate
PubChem CID24755089
Molecular FormulaC22H21O2P
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name(2,6-dimethylphenyl) 2-[methyl(phenyl)phosphanyl]benzoate
SMILESCc1cccc(C)c1OC(=O)c1ccccc1P(C)c1ccccc1
InChIInChI=1S/C22H21O2P/c1-16-10-9-11-17(2)21(16)24-22(23)19-14-7-8-15-20(19)25(3)18-12-5-4-6-13-18/h4-15H,1-3H3
InChIKeyANYTUUCWXNSFCV-UHFFFAOYSA-N
XLogP4.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 24755088
CID 24755088
2-[methyl(phenyl)phosphanyl]phenol
CID 11820610
4-(2-chlorobenzoyl)oxy-3,5-dimethylbenzoic acid
CID 129451000
(2-hydroxybenzoyl) 2-carboxyoxy-3-methylbenzoate
CID 88744397
(2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate
CID 23275051
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
CID 175079027
CID 175079027
[(2-methylphenyl)-phenylphosphanyl]-phenylmethanone
CID 150106047
N-[2-[2-[amino(methyl)phosphanyl]-6-methylphenyl]-3-methylphenyl]-2-diphenylphosphanylbenzamide
CID 142035963
2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid
CID 56975164
(4-phenoxyphenyl) 2,3-dimethylbenzoate
CID 7961917
(2,6-dimethylphenyl) thiophene-2-carboxylate
CID 23010851

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl) 2-[methyl(phenyl)phosphanyl]benzoate?
The IUPAC name of (2,6-dimethylphenyl) 2-[methyl(phenyl)phosphanyl]benzoate (CID 24755089) is (2,6-dimethylphenyl) 2-[methyl(phenyl)phosphanyl]benzoate.
What is the SMILES notation for (2,6-dimethylphenyl) 2-[methyl(phenyl)phosphanyl]benzoate?
The canonical SMILES for (2,6-dimethylphenyl) 2-[methyl(phenyl)phosphanyl]benzoate is Cc1cccc(C)c1OC(=O)c1ccccc1P(C)c1ccccc1.
What is the InChIKey of (2,6-dimethylphenyl) 2-[methyl(phenyl)phosphanyl]benzoate?
The InChIKey is ANYTUUCWXNSFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21O2P/c1-16-10-9-11-17(2)21(16)24-22(23)19-14-7-8-15-20(19)25(3)18-12-5-4-6-13-18/h4-15H,1-3H3.
What are the key properties of (2,6-dimethylphenyl) 2-[methyl(phenyl)phosphanyl]benzoate?
(2,6-dimethylphenyl) 2-[methyl(phenyl)phosphanyl]benzoate has a molecular weight of 348.38 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl) 2-[methyl(phenyl)phosphanyl]benzoate is sourced from PubChem (CID 24755089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).