(2-chloro-6-methoxybenzoyl)-oxo-(6-phenylhexyl)phosphanium

C20H23ClO3P+ — CID 70016693

IUPAC(2-chloro-6-methoxybenzoyl)-oxo-(6-phenylhexyl)phosphanium
SMILESCOc1cccc(Cl)c1C(=O)[P+](=O)CCCCCCc1ccccc1
InChIInChI=1S/C20H23ClO3P/c1-24-18-14-9-13-17(21)19(18)20(22)25(23)15-8-3-2-5-10-16-11-6-4-7-12-16/h4,6-7,9,11-14H,2-3,5,8,10,15H2,1H3/q+1
InChIKeySYGXODVCDFUCHA-UHFFFAOYSA-N
MW377.83 g/mol
LogP6.12
Rot. Bonds10

About (2-chloro-6-methoxybenzoyl)-oxo-(6-phenylhexyl)phosphanium

(2-chloro-6-methoxybenzoyl)-oxo-(6-phenylhexyl)phosphanium (PubChem CID 70016693) has the molecular formula C20H23ClO3P+ and a molecular weight of 377.83 g/mol. Its IUPAC name is (2-chloro-6-methoxybenzoyl)-oxo-(6-phenylhexyl)phosphanium.

Molecular Properties

Compound Name(2-chloro-6-methoxybenzoyl)-oxo-(6-phenylhexyl)phosphanium
PubChem CID70016693
Molecular FormulaC20H23ClO3P+
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC Name(2-chloro-6-methoxybenzoyl)-oxo-(6-phenylhexyl)phosphanium
SMILESCOc1cccc(Cl)c1C(=O)[P+](=O)CCCCCCc1ccccc1
InChIInChI=1S/C20H23ClO3P/c1-24-18-14-9-13-17(21)19(18)20(22)25(23)15-8-3-2-5-10-16-11-6-4-7-12-16/h4,6-7,9,11-14H,2-3,5,8,10,15H2,1H3/q+1
InChIKeySYGXODVCDFUCHA-UHFFFAOYSA-N
XLogP6.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.83
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethoxybenzoyl)-oxo-(5-phenylpentyl)phosphanium
CID 66688109
(2-chloro-6-methylbenzoyl)-oxo-(7-phenylheptyl)phosphanium
CID 70016775
2-methoxy-6-(5-phenylpentyl)benzoic acid
CID 46735473
butyl-(2,6-dimethoxybenzoyl)-oxophosphanium;1,2-diphenylethane-1,2-dione
CID 175473426
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
(2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium
CID 141294397
1-[2-methoxy-6-(2-phenylethyl)phenyl]ethanone
CID 102035798
1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea
CID 108868115
(2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone
CID 15430946
1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol
CID 115791096
lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide
CID 141023114

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxybenzoyl)-oxo-(6-phenylhexyl)phosphanium?
The IUPAC name of (2-chloro-6-methoxybenzoyl)-oxo-(6-phenylhexyl)phosphanium (CID 70016693) is (2-chloro-6-methoxybenzoyl)-oxo-(6-phenylhexyl)phosphanium.
What is the SMILES notation for (2-chloro-6-methoxybenzoyl)-oxo-(6-phenylhexyl)phosphanium?
The canonical SMILES for (2-chloro-6-methoxybenzoyl)-oxo-(6-phenylhexyl)phosphanium is COc1cccc(Cl)c1C(=O)[P+](=O)CCCCCCc1ccccc1.
What is the InChIKey of (2-chloro-6-methoxybenzoyl)-oxo-(6-phenylhexyl)phosphanium?
The InChIKey is SYGXODVCDFUCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClO3P/c1-24-18-14-9-13-17(21)19(18)20(22)25(23)15-8-3-2-5-10-16-11-6-4-7-12-16/h4,6-7,9,11-14H,2-3,5,8,10,15H2,1H3/q+1.
What are the key properties of (2-chloro-6-methoxybenzoyl)-oxo-(6-phenylhexyl)phosphanium?
(2-chloro-6-methoxybenzoyl)-oxo-(6-phenylhexyl)phosphanium has a molecular weight of 377.83 g/mol, XLogP of 6.12, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxybenzoyl)-oxo-(6-phenylhexyl)phosphanium is sourced from PubChem (CID 70016693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).