[cyclohexyl-(2,6-diethoxybenzoyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone

C26H33O6P — CID 151634798

IUPAC[cyclohexyl-(2,6-diethoxybenzoyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone
SMILESCCOc1cccc(OCC)c1C(=O)P(C(=O)c1c(OC)cccc1OC)C1CCCCC1
InChIInChI=1S/C26H33O6P/c1-5-31-21-16-11-17-22(32-6-2)24(21)26(28)33(18-12-8-7-9-13-18)25(27)23-19(29-3)14-10-15-20(23)30-4/h10-11,14-18H,5-9,12-13H2,1-4H3
InChIKeyQRGRNQPUKNQTDH-UHFFFAOYSA-N
MW472.52 g/mol
LogP6.30
Rot. Bonds11

About [cyclohexyl-(2,6-diethoxybenzoyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone

[cyclohexyl-(2,6-diethoxybenzoyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone (PubChem CID 151634798) has the molecular formula C26H33O6P and a molecular weight of 472.52 g/mol. Its IUPAC name is [cyclohexyl-(2,6-diethoxybenzoyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[cyclohexyl-(2,6-diethoxybenzoyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone
PubChem CID151634798
Molecular FormulaC26H33O6P
Molecular Weight472.52 g/mol
Exact Mass472.20
IUPAC Name[cyclohexyl-(2,6-diethoxybenzoyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone
SMILESCCOc1cccc(OCC)c1C(=O)P(C(=O)c1c(OC)cccc1OC)C1CCCCC1
InChIInChI=1S/C26H33O6P/c1-5-31-21-16-11-17-22(32-6-2)24(21)26(28)33(18-12-8-7-9-13-18)25(27)23-19(29-3)14-10-15-20(23)30-4/h10-11,14-18H,5-9,12-13H2,1-4H3
InChIKeyQRGRNQPUKNQTDH-UHFFFAOYSA-N
XLogP6.30
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.52
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [cyclohexyl-(2,6-diethoxybenzoyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of [cyclohexyl-(2,6-diethoxybenzoyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone (CID 151634798) is [cyclohexyl-(2,6-diethoxybenzoyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for [cyclohexyl-(2,6-diethoxybenzoyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for [cyclohexyl-(2,6-diethoxybenzoyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone is CCOc1cccc(OCC)c1C(=O)P(C(=O)c1c(OC)cccc1OC)C1CCCCC1.
What is the InChIKey of [cyclohexyl-(2,6-diethoxybenzoyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone?
The InChIKey is QRGRNQPUKNQTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33O6P/c1-5-31-21-16-11-17-22(32-6-2)24(21)26(28)33(18-12-8-7-9-13-18)25(27)23-19(29-3)14-10-15-20(23)30-4/h10-11,14-18H,5-9,12-13H2,1-4H3.
What are the key properties of [cyclohexyl-(2,6-diethoxybenzoyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone?
[cyclohexyl-(2,6-diethoxybenzoyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone has a molecular weight of 472.52 g/mol, XLogP of 6.30, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl-(2,6-diethoxybenzoyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 151634798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).