[tert-butyl(cyclohexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone

C19H29O4P — CID 22183998

IUPAC[tert-butyl(cyclohexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)P(=O)(C1CCCCC1)C(C)(C)C
InChIInChI=1S/C19H29O4P/c1-19(2,3)24(21,14-10-7-6-8-11-14)18(20)17-15(22-4)12-9-13-16(17)23-5/h9,12-14H,6-8,10-11H2,1-5H3
InChIKeyPJMPKYMVDAWKMG-UHFFFAOYSA-N
MW352.41 g/mol
LogP5.34
Rot. Bonds5

About [tert-butyl(cyclohexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone

[tert-butyl(cyclohexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone (PubChem CID 22183998) has the molecular formula C19H29O4P and a molecular weight of 352.41 g/mol. Its IUPAC name is [tert-butyl(cyclohexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[tert-butyl(cyclohexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
PubChem CID22183998
Molecular FormulaC19H29O4P
Molecular Weight352.41 g/mol
Exact Mass352.18
IUPAC Name[tert-butyl(cyclohexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)P(=O)(C1CCCCC1)C(C)(C)C
InChIInChI=1S/C19H29O4P/c1-19(2,3)24(21,14-10-7-6-8-11-14)18(20)17-15(22-4)12-9-13-16(17)23-5/h9,12-14H,6-8,10-11H2,1-5H3
InChIKeyPJMPKYMVDAWKMG-UHFFFAOYSA-N
XLogP5.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.41
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[cyclopentyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183526
[cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183265
[cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183286
cycloheptyl-(2,6-dimethoxyphenyl)methanone
CID 116810005
1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene
CID 12892172
N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide
CID 104928008
tert-butyl 2-bis(2,6-dimethoxybenzoyl)phosphorylacetate
CID 59218818
lithium;cyclohexylphosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 174401232
N-cyclopentyloxy-2,6-dimethoxybenzamide
CID 83216402
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide
CID 93452343
bis(2,6-dimethoxybenzoyl)phosphinothioyl-(2,6-dimethoxyphenyl)methanone
CID 54513060
[(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 26967458

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(cyclohexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of [tert-butyl(cyclohexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone (CID 22183998) is [tert-butyl(cyclohexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for [tert-butyl(cyclohexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for [tert-butyl(cyclohexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone is COc1cccc(OC)c1C(=O)P(=O)(C1CCCCC1)C(C)(C)C.
What is the InChIKey of [tert-butyl(cyclohexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The InChIKey is PJMPKYMVDAWKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29O4P/c1-19(2,3)24(21,14-10-7-6-8-11-14)18(20)17-15(22-4)12-9-13-16(17)23-5/h9,12-14H,6-8,10-11H2,1-5H3.
What are the key properties of [tert-butyl(cyclohexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone?
[tert-butyl(cyclohexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone has a molecular weight of 352.41 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(cyclohexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 22183998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).