(2-chloro-6-methylbenzoyl)-oxo-(7-phenylheptyl)phosphanium

C21H25ClO2P+ — CID 70016775

IUPAC(2-chloro-6-methylbenzoyl)-oxo-(7-phenylheptyl)phosphanium
SMILESCc1cccc(Cl)c1C(=O)[P+](=O)CCCCCCCc1ccccc1
InChIInChI=1S/C21H25ClO2P/c1-17-11-10-15-19(22)20(17)21(23)25(24)16-9-4-2-3-6-12-18-13-7-5-8-14-18/h5,7-8,10-11,13-15H,2-4,6,9,12,16H2,1H3/q+1
InChIKeyISARPDGLVSPHGG-UHFFFAOYSA-N
MW375.86 g/mol
LogP6.81
Rot. Bonds10

About (2-chloro-6-methylbenzoyl)-oxo-(7-phenylheptyl)phosphanium

(2-chloro-6-methylbenzoyl)-oxo-(7-phenylheptyl)phosphanium (PubChem CID 70016775) has the molecular formula C21H25ClO2P+ and a molecular weight of 375.86 g/mol. Its IUPAC name is (2-chloro-6-methylbenzoyl)-oxo-(7-phenylheptyl)phosphanium.

Molecular Properties

Compound Name(2-chloro-6-methylbenzoyl)-oxo-(7-phenylheptyl)phosphanium
PubChem CID70016775
Molecular FormulaC21H25ClO2P+
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name(2-chloro-6-methylbenzoyl)-oxo-(7-phenylheptyl)phosphanium
SMILESCc1cccc(Cl)c1C(=O)[P+](=O)CCCCCCCc1ccccc1
InChIInChI=1S/C21H25ClO2P/c1-17-11-10-15-19(22)20(17)21(23)25(24)16-9-4-2-3-6-12-18-13-7-5-8-14-18/h5,7-8,10-11,13-15H,2-4,6,9,12,16H2,1H3/q+1
InChIKeyISARPDGLVSPHGG-UHFFFAOYSA-N
XLogP6.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chloro-6-methoxybenzoyl)-oxo-(6-phenylhexyl)phosphanium
CID 70016693
(2,6-dimethoxybenzoyl)-oxo-(5-phenylpentyl)phosphanium
CID 66688109
(4-butylphenyl)-(2,6-dichlorophenyl)methanone
CID 43160097
8-phenyloctylcarbamic acid
CID 90271205
(2-chloro-6-methylphenyl)-phosphanylmethanone
CID 159149491
butylbenzene;carbonic acid
CID 158278492
2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide
CID 52573948
N,N,2,2-tetramethyl-7-phenylheptanamide
CID 142211557
(3-benzoyl-2,6-dibromophenyl)-(2-chloro-6-methylbenzoyl)-oxophosphanium
CID 70016709
carbonic acid;pentylbenzene
CID 157127683
15-phenylpentadecanoic acid
CID 2737151
N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide
CID 4607386

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methylbenzoyl)-oxo-(7-phenylheptyl)phosphanium?
The IUPAC name of (2-chloro-6-methylbenzoyl)-oxo-(7-phenylheptyl)phosphanium (CID 70016775) is (2-chloro-6-methylbenzoyl)-oxo-(7-phenylheptyl)phosphanium.
What is the SMILES notation for (2-chloro-6-methylbenzoyl)-oxo-(7-phenylheptyl)phosphanium?
The canonical SMILES for (2-chloro-6-methylbenzoyl)-oxo-(7-phenylheptyl)phosphanium is Cc1cccc(Cl)c1C(=O)[P+](=O)CCCCCCCc1ccccc1.
What is the InChIKey of (2-chloro-6-methylbenzoyl)-oxo-(7-phenylheptyl)phosphanium?
The InChIKey is ISARPDGLVSPHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClO2P/c1-17-11-10-15-19(22)20(17)21(23)25(24)16-9-4-2-3-6-12-18-13-7-5-8-14-18/h5,7-8,10-11,13-15H,2-4,6,9,12,16H2,1H3/q+1.
What are the key properties of (2-chloro-6-methylbenzoyl)-oxo-(7-phenylheptyl)phosphanium?
(2-chloro-6-methylbenzoyl)-oxo-(7-phenylheptyl)phosphanium has a molecular weight of 375.86 g/mol, XLogP of 6.81, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methylbenzoyl)-oxo-(7-phenylheptyl)phosphanium is sourced from PubChem (CID 70016775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).