ethane-1,2-diol;8-[2-(2-methoxy-6-methylphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1-[2-(2-methoxy-6-methylphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one

C50H68O7P2 — CID 160828423

IUPACethane-1,2-diol;8-[2-(2-methoxy-6-methylphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1-[2-(2-methoxy-6-methylphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one
SMILESCOc1cccc(C)c1-c1ccccc1P1C(C)(C)CC(=O)CC1(C)C.COc1cccc(C)c1-c1ccccc1P1C(C)(C)CC2(CC1(C)C)OCCO2.OCCO
InChIInChI=1S/C25H33O3P.C23H29O2P.C2H6O2/c1-18-10-9-12-20(26-6)22(18)19-11-7-8-13-21(19)29-23(2,3)16-25(17-24(29,4)5)27-14-15-28-25;1-16-10-9-12-19(25-6)21(16)18-11-7-8-13-20(18)26-22(2,3)14-17(24)15-23(26,4)5;3-1-2-4/h7-13H,14-17H2,1-6H3;7-13H,14-15H2,1-6H3;3-4H,1-2H2
InChIKeySGMFSVOHPCWYNA-UHFFFAOYSA-N
MW843.03 g/mol
LogP10.54
Rot. Bonds7

About ethane-1,2-diol;8-[2-(2-methoxy-6-methylphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1-[2-(2-methoxy-6-methylphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one

ethane-1,2-diol;8-[2-(2-methoxy-6-methylphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1-[2-(2-methoxy-6-methylphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one (PubChem CID 160828423) has the molecular formula C50H68O7P2 and a molecular weight of 843.03 g/mol. Its IUPAC name is ethane-1,2-diol;8-[2-(2-methoxy-6-methylphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1-[2-(2-methoxy-6-methylphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one.

Molecular Properties

Compound Nameethane-1,2-diol;8-[2-(2-methoxy-6-methylphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1-[2-(2-methoxy-6-methylphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one
PubChem CID160828423
Molecular FormulaC50H68O7P2
Molecular Weight843.03 g/mol
Exact Mass842.44
IUPAC Nameethane-1,2-diol;8-[2-(2-methoxy-6-methylphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1-[2-(2-methoxy-6-methylphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one
SMILESCOc1cccc(C)c1-c1ccccc1P1C(C)(C)CC(=O)CC1(C)C.COc1cccc(C)c1-c1ccccc1P1C(C)(C)CC2(CC1(C)C)OCCO2.OCCO
InChIInChI=1S/C25H33O3P.C23H29O2P.C2H6O2/c1-18-10-9-12-20(26-6)22(18)19-11-7-8-13-21(19)29-23(2,3)16-25(17-24(29,4)5)27-14-15-28-25;1-16-10-9-12-19(25-6)21(16)18-11-7-8-13-20(18)26-22(2,3)14-17(24)15-23(26,4)5;3-1-2-4/h7-13H,14-17H2,1-6H3;7-13H,14-15H2,1-6H3;3-4H,1-2H2
InChIKeySGMFSVOHPCWYNA-UHFFFAOYSA-N
XLogP10.54
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.03
LogP ≤ 510.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethane-1,2-diol;8-[2-(2-methoxy-6-methylphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1-[2-(2-methoxy-6-methylphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one with MolForge

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Related Compounds

3-methoxy-N,N-dimethyl-2-[2-(7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decan-8-yl)phenyl]aniline
CID 66662579
8-[2-(2,6-dimethoxyphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane
CID 160517252
1-[2-(2-benzyl-4-ethyl-6-methylphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one
CID 123479005
1-[2-[2-(dimethylamino)-6-methoxyphenyl]phenyl]-2,2-dimethyl-6-methylidenephosphinan-4-one
CID 129189827
1-[2-(3,5-dimethoxyphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one;1-[4,5-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one
CID 158328556
8-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-7,9-diphenyl-1,4-dioxa-8-phosphaspiro[4.5]decane
CID 175872413
2-(2-dicyclohexylphosphorylphenyl)-1-methoxy-3-methylbenzene
CID 158416799
1-hydroxy-8-methoxy-3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]anthracene-9,10-dione
CID 95931143
3-methoxy-2-(2-methylphenyl)phenol
CID 122691974
2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione
CID 622512
5-methoxy-4,4-dimethyl-2,3-dihydroisoquinolin-1-one
CID 82126298
[3-(2,6-dimethoxyphenyl)-1H-inden-1-yl]methanol
CID 132518631

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;8-[2-(2-methoxy-6-methylphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1-[2-(2-methoxy-6-methylphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one?
The IUPAC name of ethane-1,2-diol;8-[2-(2-methoxy-6-methylphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1-[2-(2-methoxy-6-methylphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one (CID 160828423) is ethane-1,2-diol;8-[2-(2-methoxy-6-methylphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1-[2-(2-methoxy-6-methylphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one.
What is the SMILES notation for ethane-1,2-diol;8-[2-(2-methoxy-6-methylphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1-[2-(2-methoxy-6-methylphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one?
The canonical SMILES for ethane-1,2-diol;8-[2-(2-methoxy-6-methylphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1-[2-(2-methoxy-6-methylphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one is COc1cccc(C)c1-c1ccccc1P1C(C)(C)CC(=O)CC1(C)C.COc1cccc(C)c1-c1ccccc1P1C(C)(C)CC2(CC1(C)C)OCCO2.OCCO.
What is the InChIKey of ethane-1,2-diol;8-[2-(2-methoxy-6-methylphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1-[2-(2-methoxy-6-methylphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one?
The InChIKey is SGMFSVOHPCWYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33O3P.C23H29O2P.C2H6O2/c1-18-10-9-12-20(26-6)22(18)19-11-7-8-13-21(19)29-23(2,3)16-25(17-24(29,4)5)27-14-15-28-25;1-16-10-9-12-19(25-6)21(16)18-11-7-8-13-20(18)26-22(2,3)14-17(24)15-23(26,4)5;3-1-2-4/h7-13H,14-17H2,1-6H3;7-13H,14-15H2,1-6H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;8-[2-(2-methoxy-6-methylphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1-[2-(2-methoxy-6-methylphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one?
ethane-1,2-diol;8-[2-(2-methoxy-6-methylphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1-[2-(2-methoxy-6-methylphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one has a molecular weight of 843.03 g/mol, XLogP of 10.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;8-[2-(2-methoxy-6-methylphenyl)phenyl]-7,7,9,9-tetramethyl-1,4-dioxa-8-phosphaspiro[4.5]decane;1-[2-(2-methoxy-6-methylphenyl)phenyl]-2,2,6,6-tetramethylphosphinan-4-one is sourced from PubChem (CID 160828423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).