(2-chloro-2-ethylhexyl)-[2-(2-methylbenzoyl)phenyl]-oxophosphanium

C22H27ClO2P+ — CID 173245767

IUPAC(2-chloro-2-ethylhexyl)-[2-(2-methylbenzoyl)phenyl]-oxophosphanium
SMILESCCCCC(Cl)(CC)C[P+](=O)c1ccccc1C(=O)c1ccccc1C
InChIInChI=1S/C22H27ClO2P/c1-4-6-15-22(23,5-2)16-26(25)20-14-10-9-13-19(20)21(24)18-12-8-7-11-17(18)3/h7-14H,4-6,15-16H2,1-3H3/q+1
InChIKeyQEBPHPPCNWGMBC-UHFFFAOYSA-N
MW389.88 g/mol
LogP6.26
Rot. Bonds9

About (2-chloro-2-ethylhexyl)-[2-(2-methylbenzoyl)phenyl]-oxophosphanium

(2-chloro-2-ethylhexyl)-[2-(2-methylbenzoyl)phenyl]-oxophosphanium (PubChem CID 173245767) has the molecular formula C22H27ClO2P+ and a molecular weight of 389.88 g/mol. Its IUPAC name is (2-chloro-2-ethylhexyl)-[2-(2-methylbenzoyl)phenyl]-oxophosphanium.

Molecular Properties

Compound Name(2-chloro-2-ethylhexyl)-[2-(2-methylbenzoyl)phenyl]-oxophosphanium
PubChem CID173245767
Molecular FormulaC22H27ClO2P+
Molecular Weight389.88 g/mol
Exact Mass389.14
IUPAC Name(2-chloro-2-ethylhexyl)-[2-(2-methylbenzoyl)phenyl]-oxophosphanium
SMILESCCCCC(Cl)(CC)C[P+](=O)c1ccccc1C(=O)c1ccccc1C
InChIInChI=1S/C22H27ClO2P/c1-4-6-15-22(23,5-2)16-26(25)20-14-10-9-13-19(20)21(24)18-12-8-7-11-17(18)3/h7-14H,4-6,15-16H2,1-3H3/q+1
InChIKeyQEBPHPPCNWGMBC-UHFFFAOYSA-N
XLogP6.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.88
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oxo-pentyl-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
CID 173244333
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
N-hexyl-2-methylbenzamide
CID 3017102
2-methyl-N,N-dipentylbenzamide
CID 4576290
[2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone
CID 117071524
(3-hexyl-2,4-dihydroxyphenyl)-(2-methylphenyl)methanone
CID 175553611
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-methylphenyl)hexane-1,2-dione
CID 123909332
1-(2-methylphenyl)nonan-1-one
CID 63409672
N-chloro-N,2-dimethylbenzamide
CID 166437996
1-methyl-2-(2-methylhept-2-en-3-yl)benzene
CID 142356923
N-formyl-2-methyl-N-pentylbenzamide
CID 142115251

Frequently Asked Questions

What is the IUPAC name of (2-chloro-2-ethylhexyl)-[2-(2-methylbenzoyl)phenyl]-oxophosphanium?
The IUPAC name of (2-chloro-2-ethylhexyl)-[2-(2-methylbenzoyl)phenyl]-oxophosphanium (CID 173245767) is (2-chloro-2-ethylhexyl)-[2-(2-methylbenzoyl)phenyl]-oxophosphanium.
What is the SMILES notation for (2-chloro-2-ethylhexyl)-[2-(2-methylbenzoyl)phenyl]-oxophosphanium?
The canonical SMILES for (2-chloro-2-ethylhexyl)-[2-(2-methylbenzoyl)phenyl]-oxophosphanium is CCCCC(Cl)(CC)C[P+](=O)c1ccccc1C(=O)c1ccccc1C.
What is the InChIKey of (2-chloro-2-ethylhexyl)-[2-(2-methylbenzoyl)phenyl]-oxophosphanium?
The InChIKey is QEBPHPPCNWGMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClO2P/c1-4-6-15-22(23,5-2)16-26(25)20-14-10-9-13-19(20)21(24)18-12-8-7-11-17(18)3/h7-14H,4-6,15-16H2,1-3H3/q+1.
What are the key properties of (2-chloro-2-ethylhexyl)-[2-(2-methylbenzoyl)phenyl]-oxophosphanium?
(2-chloro-2-ethylhexyl)-[2-(2-methylbenzoyl)phenyl]-oxophosphanium has a molecular weight of 389.88 g/mol, XLogP of 6.26, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-2-ethylhexyl)-[2-(2-methylbenzoyl)phenyl]-oxophosphanium is sourced from PubChem (CID 173245767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).