(2,6-dimethoxybenzoyl)-oxo-(2,4,4-trimethylpentyl)phosphanium;bis((1-hydroxycyclohexyl)-phenylmethanone);methane;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

C71H93O11P2+ — CID 161205653

IUPAC(2,6-dimethoxybenzoyl)-oxo-(2,4,4-trimethylpentyl)phosphanium;bis((1-hydroxycyclohexyl)-phenylmethanone);methane;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESC.C.COc1cccc(OC)c1C(=O)[P+](=O)CC(C)CC(C)(C)C.Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1.O=C(c1ccccc1)C1(O)CCCCC1.O=C(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C26H27O3P.C17H26O4P.2C13H16O2.2CH4/c1-16-12-18(3)23(19(4)13-16)25(27)30(29,22-10-8-7-9-11-22)26(28)24-20(5)14-17(2)15-21(24)6;1-12(10-17(2,3)4)11-22(19)16(18)15-13(20-5)8-7-9-14(15)21-6;2*14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13;;/h7-15H,1-6H3;7-9,12H,10-11H2,1-6H3;2*1,3-4,7-8,15H,2,5-6,9-10H2;2*1H4/q;+1;;;;
InChIKeyCMKJUCSIGMJAHP-UHFFFAOYSA-N
MW1184.46 g/mol
LogP17.35
Rot. Bonds16

About (2,6-dimethoxybenzoyl)-oxo-(2,4,4-trimethylpentyl)phosphanium;bis((1-hydroxycyclohexyl)-phenylmethanone);methane;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

(2,6-dimethoxybenzoyl)-oxo-(2,4,4-trimethylpentyl)phosphanium;bis((1-hydroxycyclohexyl)-phenylmethanone);methane;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 161205653) has the molecular formula C71H93O11P2+ and a molecular weight of 1184.46 g/mol. Its IUPAC name is (2,6-dimethoxybenzoyl)-oxo-(2,4,4-trimethylpentyl)phosphanium;bis((1-hydroxycyclohexyl)-phenylmethanone);methane;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethoxybenzoyl)-oxo-(2,4,4-trimethylpentyl)phosphanium;bis((1-hydroxycyclohexyl)-phenylmethanone);methane;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
PubChem CID161205653
Molecular FormulaC71H93O11P2+
Molecular Weight1184.46 g/mol
Exact Mass1183.62
IUPAC Name(2,6-dimethoxybenzoyl)-oxo-(2,4,4-trimethylpentyl)phosphanium;bis((1-hydroxycyclohexyl)-phenylmethanone);methane;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESC.C.COc1cccc(OC)c1C(=O)[P+](=O)CC(C)CC(C)(C)C.Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1.O=C(c1ccccc1)C1(O)CCCCC1.O=C(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C26H27O3P.C17H26O4P.2C13H16O2.2CH4/c1-16-12-18(3)23(19(4)13-16)25(27)30(29,22-10-8-7-9-11-22)26(28)24-20(5)14-17(2)15-21(24)6;1-12(10-17(2,3)4)11-22(19)16(18)15-13(20-5)8-7-9-14(15)21-6;2*14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13;;/h7-15H,1-6H3;7-9,12H,10-11H2,1-6H3;2*1,3-4,7-8,15H,2,5-6,9-10H2;2*1H4/q;+1;;;;
InChIKeyCMKJUCSIGMJAHP-UHFFFAOYSA-N
XLogP17.35
TPSA178.41 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001184.46
LogP ≤ 517.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (2,6-dimethoxybenzoyl)-oxo-(2,4,4-trimethylpentyl)phosphanium;bis((1-hydroxycyclohexyl)-phenylmethanone);methane;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone with MolForge

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Related Compounds

[benzoyl(ethyl)phosphoryl]-phenylmethanone;[(2,6-dimethoxybenzoyl)-ethylphosphoryl]-(2,6-dimethoxyphenyl)methanone;[(2,6-dimethoxybenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone;1-[(2,6-dimethoxybenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]propan-1-one;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 161355770
(2,6-dimethoxybenzoyl)-oxo-[4-oxo-2-phenyl-3-(2,4,6-trimethylbenzoyl)-4-(2,4,6-trimethylphenyl)butyl]phosphanium
CID 172770545
(2,6-diethoxybenzoyl)-oxo-(2,4,4-trimethylpentyl)phosphanium
CID 66893194
[3,4-bis(2,6-dimethoxybenzoyl)-5-[phenyl(2,4,4-trimethylpentyl)phosphoryl]-2-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone
CID 158246107
[(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone
CID 164973475
(2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium
CID 141294397
[(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 26967458
[cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183265
[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone
CID 21343895
[tert-butyl(2,4,4-trimethylpentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183774
(2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone
CID 70015697
[2-bis(2,4,6-trimethylbenzoyl)phosphorylphenyl]-(2,6-dimethoxyphenyl)methanone
CID 158862858

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxybenzoyl)-oxo-(2,4,4-trimethylpentyl)phosphanium;bis((1-hydroxycyclohexyl)-phenylmethanone);methane;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (2,6-dimethoxybenzoyl)-oxo-(2,4,4-trimethylpentyl)phosphanium;bis((1-hydroxycyclohexyl)-phenylmethanone);methane;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 161205653) is (2,6-dimethoxybenzoyl)-oxo-(2,4,4-trimethylpentyl)phosphanium;bis((1-hydroxycyclohexyl)-phenylmethanone);methane;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (2,6-dimethoxybenzoyl)-oxo-(2,4,4-trimethylpentyl)phosphanium;bis((1-hydroxycyclohexyl)-phenylmethanone);methane;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (2,6-dimethoxybenzoyl)-oxo-(2,4,4-trimethylpentyl)phosphanium;bis((1-hydroxycyclohexyl)-phenylmethanone);methane;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is C.C.COc1cccc(OC)c1C(=O)[P+](=O)CC(C)CC(C)(C)C.Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1.O=C(c1ccccc1)C1(O)CCCCC1.O=C(c1ccccc1)C1(O)CCCCC1.
What is the InChIKey of (2,6-dimethoxybenzoyl)-oxo-(2,4,4-trimethylpentyl)phosphanium;bis((1-hydroxycyclohexyl)-phenylmethanone);methane;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is CMKJUCSIGMJAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27O3P.C17H26O4P.2C13H16O2.2CH4/c1-16-12-18(3)23(19(4)13-16)25(27)30(29,22-10-8-7-9-11-22)26(28)24-20(5)14-17(2)15-21(24)6;1-12(10-17(2,3)4)11-22(19)16(18)15-13(20-5)8-7-9-14(15)21-6;2*14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13;;/h7-15H,1-6H3;7-9,12H,10-11H2,1-6H3;2*1,3-4,7-8,15H,2,5-6,9-10H2;2*1H4/q;+1;;;;.
What are the key properties of (2,6-dimethoxybenzoyl)-oxo-(2,4,4-trimethylpentyl)phosphanium;bis((1-hydroxycyclohexyl)-phenylmethanone);methane;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
(2,6-dimethoxybenzoyl)-oxo-(2,4,4-trimethylpentyl)phosphanium;bis((1-hydroxycyclohexyl)-phenylmethanone);methane;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 1184.46 g/mol, XLogP of 17.35, 16 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxybenzoyl)-oxo-(2,4,4-trimethylpentyl)phosphanium;bis((1-hydroxycyclohexyl)-phenylmethanone);methane;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 161205653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).