[4-(4-tert-butyl-2-methylbenzoyl)cyclohexyl]phosphanide

C18H26OP- — CID 141022952

IUPAC[4-(4-tert-butyl-2-methylbenzoyl)cyclohexyl]phosphanide
SMILESCc1cc(C(C)(C)C)ccc1C(=O)C1CCC([PH-])CC1
InChIInChI=1S/C18H26OP/c1-12-11-14(18(2,3)4)7-10-16(12)17(19)13-5-8-15(20)9-6-13/h7,10-11,13,15,20H,5-6,8-9H2,1-4H3/q-1
InChIKeyMWDCBIOTVUBVMX-UHFFFAOYSA-N
MW289.38 g/mol
LogP5.18
Rot. Bonds2

About [4-(4-tert-butyl-2-methylbenzoyl)cyclohexyl]phosphanide

[4-(4-tert-butyl-2-methylbenzoyl)cyclohexyl]phosphanide (PubChem CID 141022952) has the molecular formula C18H26OP- and a molecular weight of 289.38 g/mol. Its IUPAC name is [4-(4-tert-butyl-2-methylbenzoyl)cyclohexyl]phosphanide.

Molecular Properties

Compound Name[4-(4-tert-butyl-2-methylbenzoyl)cyclohexyl]phosphanide
PubChem CID141022952
Molecular FormulaC18H26OP-
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name[4-(4-tert-butyl-2-methylbenzoyl)cyclohexyl]phosphanide
SMILESCc1cc(C(C)(C)C)ccc1C(=O)C1CCC([PH-])CC1
InChIInChI=1S/C18H26OP/c1-12-11-14(18(2,3)4)7-10-16(12)17(19)13-5-8-15(20)9-6-13/h7,10-11,13,15,20H,5-6,8-9H2,1-4H3/q-1
InChIKeyMWDCBIOTVUBVMX-UHFFFAOYSA-N
XLogP5.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.38
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5-tert-butyl-2-methylphenyl)-piperidin-4-ylmethanone
CID 82049671
(4-ethylcyclohexyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752536
cyclopentyl-(2,4-dimethylphenyl)methanone
CID 24724166
cyclobutyl-(2,4-dimethylphenyl)methanone
CID 24724130
(4-fluoro-2-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790629
(5-tert-butyl-2-methylphenyl)-pyrrolidin-3-ylmethanone
CID 116916850
1-(4-tert-butyl-2-methylphenyl)ethanone;methane
CID 161237791
1-(4-tert-butyl-2-methylphenyl)-3,3-dimethylbutan-1-one
CID 82498362
4-tert-butyl-2-methylbenzenecarboperoxoic acid
CID 54175949
(4-aminocyclohexyl)-(4-tert-butylphenyl)methanone
CID 116557437
1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone
CID 82121250
cyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone
CID 82262955

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butyl-2-methylbenzoyl)cyclohexyl]phosphanide?
The IUPAC name of [4-(4-tert-butyl-2-methylbenzoyl)cyclohexyl]phosphanide (CID 141022952) is [4-(4-tert-butyl-2-methylbenzoyl)cyclohexyl]phosphanide.
What is the SMILES notation for [4-(4-tert-butyl-2-methylbenzoyl)cyclohexyl]phosphanide?
The canonical SMILES for [4-(4-tert-butyl-2-methylbenzoyl)cyclohexyl]phosphanide is Cc1cc(C(C)(C)C)ccc1C(=O)C1CCC([PH-])CC1.
What is the InChIKey of [4-(4-tert-butyl-2-methylbenzoyl)cyclohexyl]phosphanide?
The InChIKey is MWDCBIOTVUBVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26OP/c1-12-11-14(18(2,3)4)7-10-16(12)17(19)13-5-8-15(20)9-6-13/h7,10-11,13,15,20H,5-6,8-9H2,1-4H3/q-1.
What are the key properties of [4-(4-tert-butyl-2-methylbenzoyl)cyclohexyl]phosphanide?
[4-(4-tert-butyl-2-methylbenzoyl)cyclohexyl]phosphanide has a molecular weight of 289.38 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butyl-2-methylbenzoyl)cyclohexyl]phosphanide is sourced from PubChem (CID 141022952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).