1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;(4-tert-butylphenyl)methanol;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;4-(4-tert-butylphenyl)-1-methylpiperidine;3-(4-tert-butylphenyl)-1-methylpyrazole

C132H196N9O12P3S — CID 160962694

IUPAC1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;(4-tert-butylphenyl)methanol;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;4-(4-tert-butylphenyl)-1-methylpiperidine;3-(4-tert-butylphenyl)-1-methylpyrazole
SMILESCC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1.CN1CCC(c2ccc(C(C)(C)C)cc2)CC1.CN1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1.CNC(=O)c1ccc(C(C)(C)C)cc1.COc1cc(C(=O)N2CCP(=O)(C3CC3)CC2)ccc1C(C)(C)C.COc1cc(N2CCP(=O)(C3CC3)CC2)ccc1C(C)(C)C.COc1cc(P2(=O)CCNCC2)ccc1C(C)(C)C.Cn1ccc(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C19H28NO3P.C18H28NO2P.C16H24N2O.C16H25N.C15H24NO2P.C14H18N2.C12H17NO.C11H16O2S.C11H16O/c1-19(2,3)16-8-5-14(13-17(16)23-4)18(21)20-9-11-24(22,12-10-20)15-6-7-15;1-18(2,3)16-8-5-14(13-17(16)21-4)19-9-11-22(20,12-10-19)15-6-7-15;1-16(2,3)14-7-5-13(6-8-14)15(19)18-11-9-17(4)10-12-18;1-16(2,3)15-7-5-13(6-8-15)14-9-11-17(4)12-10-14;1-15(2,3)13-6-5-12(11-14(13)18-4)19(17)9-7-16-8-10-19;1-14(2,3)12-7-5-11(6-8-12)13-9-10-16(4)15-13;1-12(2,3)10-7-5-9(6-8-10)11(14)13-4;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-11(2,3)10-6-4-9(8-12)5-7-10/h5,8,13,15H,6-7,9-12H2,1-4H3;5,8,13,15H,6-7,9-12H2,1-4H3;5-8H,9-12H2,1-4H3;5-8,14H,9-12H2,1-4H3;5-6,11,16H,7-10H2,1-4H3;5-10H,1-4H3;5-8H,1-4H3,(H,13,14);5-8H,1-4H3;4-7,12H,8H2,1-3H3
InChIKeySXFBJWFVCJRRJM-UHFFFAOYSA-N
MW2226.06 g/mol
LogP27.65
Rot. Bonds14

About 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;(4-tert-butylphenyl)methanol;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;4-(4-tert-butylphenyl)-1-methylpiperidine;3-(4-tert-butylphenyl)-1-methylpyrazole

1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;(4-tert-butylphenyl)methanol;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;4-(4-tert-butylphenyl)-1-methylpiperidine;3-(4-tert-butylphenyl)-1-methylpyrazole (PubChem CID 160962694) has the molecular formula C132H196N9O12P3S and a molecular weight of 2226.06 g/mol. Its IUPAC name is 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;(4-tert-butylphenyl)methanol;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;4-(4-tert-butylphenyl)-1-methylpiperidine;3-(4-tert-butylphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;(4-tert-butylphenyl)methanol;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;4-(4-tert-butylphenyl)-1-methylpiperidine;3-(4-tert-butylphenyl)-1-methylpyrazole
PubChem CID160962694
Molecular FormulaC132H196N9O12P3S
Molecular Weight2226.06 g/mol
Exact Mass2224.39
IUPAC Name1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;(4-tert-butylphenyl)methanol;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;4-(4-tert-butylphenyl)-1-methylpiperidine;3-(4-tert-butylphenyl)-1-methylpyrazole
SMILESCC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1.CN1CCC(c2ccc(C(C)(C)C)cc2)CC1.CN1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1.CNC(=O)c1ccc(C(C)(C)C)cc1.COc1cc(C(=O)N2CCP(=O)(C3CC3)CC2)ccc1C(C)(C)C.COc1cc(N2CCP(=O)(C3CC3)CC2)ccc1C(C)(C)C.COc1cc(P2(=O)CCNCC2)ccc1C(C)(C)C.Cn1ccc(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C19H28NO3P.C18H28NO2P.C16H24N2O.C16H25N.C15H24NO2P.C14H18N2.C12H17NO.C11H16O2S.C11H16O/c1-19(2,3)16-8-5-14(13-17(16)23-4)18(21)20-9-11-24(22,12-10-20)15-6-7-15;1-18(2,3)16-8-5-14(13-17(16)21-4)19-9-11-22(20,12-10-19)15-6-7-15;1-16(2,3)14-7-5-13(6-8-14)15(19)18-11-9-17(4)10-12-18;1-16(2,3)15-7-5-13(6-8-15)14-9-11-17(4)12-10-14;1-15(2,3)13-6-5-12(11-14(13)18-4)19(17)9-7-16-8-10-19;1-14(2,3)12-7-5-11(6-8-12)13-9-10-16(4)15-13;1-12(2,3)10-7-5-9(6-8-10)11(14)13-4;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-11(2,3)10-6-4-9(8-12)5-7-10/h5,8,13,15H,6-7,9-12H2,1-4H3;5,8,13,15H,6-7,9-12H2,1-4H3;5-8H,9-12H2,1-4H3;5-8,14H,9-12H2,1-4H3;5-6,11,16H,7-10H2,1-4H3;5-10H,1-4H3;5-8H,1-4H3,(H,13,14);5-8H,1-4H3;4-7,12H,8H2,1-3H3
InChIKeySXFBJWFVCJRRJM-UHFFFAOYSA-N
XLogP27.65
TPSA242.56 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002226.06
LogP ≤ 527.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;(4-tert-butylphenyl)methanol;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;4-(4-tert-butylphenyl)-1-methylpiperidine;3-(4-tert-butylphenyl)-1-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;(4-tert-butylphenyl)methanol;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;4-(4-tert-butylphenyl)-1-methylpiperidine;3-(4-tert-butylphenyl)-1-methylpyrazole?
The IUPAC name of 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;(4-tert-butylphenyl)methanol;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;4-(4-tert-butylphenyl)-1-methylpiperidine;3-(4-tert-butylphenyl)-1-methylpyrazole (CID 160962694) is 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;(4-tert-butylphenyl)methanol;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;4-(4-tert-butylphenyl)-1-methylpiperidine;3-(4-tert-butylphenyl)-1-methylpyrazole.
What is the SMILES notation for 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;(4-tert-butylphenyl)methanol;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;4-(4-tert-butylphenyl)-1-methylpiperidine;3-(4-tert-butylphenyl)-1-methylpyrazole?
The canonical SMILES for 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;(4-tert-butylphenyl)methanol;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;4-(4-tert-butylphenyl)-1-methylpiperidine;3-(4-tert-butylphenyl)-1-methylpyrazole is CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1.CN1CCC(c2ccc(C(C)(C)C)cc2)CC1.CN1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1.CNC(=O)c1ccc(C(C)(C)C)cc1.COc1cc(C(=O)N2CCP(=O)(C3CC3)CC2)ccc1C(C)(C)C.COc1cc(N2CCP(=O)(C3CC3)CC2)ccc1C(C)(C)C.COc1cc(P2(=O)CCNCC2)ccc1C(C)(C)C.Cn1ccc(-c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;(4-tert-butylphenyl)methanol;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;4-(4-tert-butylphenyl)-1-methylpiperidine;3-(4-tert-butylphenyl)-1-methylpyrazole?
The InChIKey is SXFBJWFVCJRRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28NO3P.C18H28NO2P.C16H24N2O.C16H25N.C15H24NO2P.C14H18N2.C12H17NO.C11H16O2S.C11H16O/c1-19(2,3)16-8-5-14(13-17(16)23-4)18(21)20-9-11-24(22,12-10-20)15-6-7-15;1-18(2,3)16-8-5-14(13-17(16)21-4)19-9-11-22(20,12-10-19)15-6-7-15;1-16(2,3)14-7-5-13(6-8-14)15(19)18-11-9-17(4)10-12-18;1-16(2,3)15-7-5-13(6-8-15)14-9-11-17(4)12-10-14;1-15(2,3)13-6-5-12(11-14(13)18-4)19(17)9-7-16-8-10-19;1-14(2,3)12-7-5-11(6-8-12)13-9-10-16(4)15-13;1-12(2,3)10-7-5-9(6-8-10)11(14)13-4;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-11(2,3)10-6-4-9(8-12)5-7-10/h5,8,13,15H,6-7,9-12H2,1-4H3;5,8,13,15H,6-7,9-12H2,1-4H3;5-8H,9-12H2,1-4H3;5-8,14H,9-12H2,1-4H3;5-6,11,16H,7-10H2,1-4H3;5-10H,1-4H3;5-8H,1-4H3,(H,13,14);5-8H,1-4H3;4-7,12H,8H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;(4-tert-butylphenyl)methanol;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;4-(4-tert-butylphenyl)-1-methylpiperidine;3-(4-tert-butylphenyl)-1-methylpyrazole?
1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;(4-tert-butylphenyl)methanol;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;4-(4-tert-butylphenyl)-1-methylpiperidine;3-(4-tert-butylphenyl)-1-methylpyrazole has a molecular weight of 2226.06 g/mol, XLogP of 27.65, 14 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;(4-tert-butylphenyl)methanol;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;4-(4-tert-butylphenyl)-1-methylpiperidine;3-(4-tert-butylphenyl)-1-methylpyrazole is sourced from PubChem (CID 160962694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).