(3-hydroxy-2,4,6-trimethylbenzoyl)phosphanyl-(2,4,6-trimethylphenyl)methanone

C20H23O3P — CID 153324668

IUPAC(3-hydroxy-2,4,6-trimethylbenzoyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)PC(=O)c2c(C)cc(C)c(O)c2C)c(C)c1
InChIInChI=1S/C20H23O3P/c1-10-7-11(2)16(12(3)8-10)19(22)24-20(23)17-13(4)9-14(5)18(21)15(17)6/h7-9,21,24H,1-6H3
InChIKeyFMQZTCKVDCFJMH-UHFFFAOYSA-N
MW342.38 g/mol
LogP4.90
Rot. Bonds4

About (3-hydroxy-2,4,6-trimethylbenzoyl)phosphanyl-(2,4,6-trimethylphenyl)methanone

(3-hydroxy-2,4,6-trimethylbenzoyl)phosphanyl-(2,4,6-trimethylphenyl)methanone (PubChem CID 153324668) has the molecular formula C20H23O3P and a molecular weight of 342.38 g/mol. Its IUPAC name is (3-hydroxy-2,4,6-trimethylbenzoyl)phosphanyl-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxy-2,4,6-trimethylbenzoyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
PubChem CID153324668
Molecular FormulaC20H23O3P
Molecular Weight342.38 g/mol
Exact Mass342.14
IUPAC Name(3-hydroxy-2,4,6-trimethylbenzoyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)PC(=O)c2c(C)cc(C)c(O)c2C)c(C)c1
InChIInChI=1S/C20H23O3P/c1-10-7-11(2)16(12(3)8-10)19(22)24-20(23)17-13(4)9-14(5)18(21)15(17)6/h7-9,21,24H,1-6H3
InChIKeyFMQZTCKVDCFJMH-UHFFFAOYSA-N
XLogP4.90
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-2,4,6-trimethylbenzoic acid
CID 84657275
(2,4,6-trimethylbenzoyl)phosphinous acid
CID 69266180
lithium;hydride;(2,3,4,6-tetramethylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone
CID 173243893
gallium tris(2,4,6-trimethylbenzoate)
CID 22604109
1-(3,6-dihydroxy-2,4-dimethylphenyl)ethanone
CID 12523113
2,4-dimethyl-6-(2,3,5-trimethylphenyl)phenol
CID 90291954
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336
CID 140911137
CID 140911137
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
1-(2-hydroxy-4,6-dimethylphenyl)ethanone
CID 139057763
2-hydroxy-3,5,6-trimethylbenzoic acid
CID 23352517
2-hydroxy-3,5-dimethylbenzaldehyde
CID 4770245

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,4,6-trimethylbenzoyl)phosphanyl-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (3-hydroxy-2,4,6-trimethylbenzoyl)phosphanyl-(2,4,6-trimethylphenyl)methanone (CID 153324668) is (3-hydroxy-2,4,6-trimethylbenzoyl)phosphanyl-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (3-hydroxy-2,4,6-trimethylbenzoyl)phosphanyl-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (3-hydroxy-2,4,6-trimethylbenzoyl)phosphanyl-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)PC(=O)c2c(C)cc(C)c(O)c2C)c(C)c1.
What is the InChIKey of (3-hydroxy-2,4,6-trimethylbenzoyl)phosphanyl-(2,4,6-trimethylphenyl)methanone?
The InChIKey is FMQZTCKVDCFJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23O3P/c1-10-7-11(2)16(12(3)8-10)19(22)24-20(23)17-13(4)9-14(5)18(21)15(17)6/h7-9,21,24H,1-6H3.
What are the key properties of (3-hydroxy-2,4,6-trimethylbenzoyl)phosphanyl-(2,4,6-trimethylphenyl)methanone?
(3-hydroxy-2,4,6-trimethylbenzoyl)phosphanyl-(2,4,6-trimethylphenyl)methanone has a molecular weight of 342.38 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,4,6-trimethylbenzoyl)phosphanyl-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 153324668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).