8-[2-(3,5-dimethoxyphenyl)phenyl]-7,7-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane

C23H29O4P — CID 138511520

IUPAC8-[2-(3,5-dimethoxyphenyl)phenyl]-7,7-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane
SMILESCOc1cc(OC)cc(-c2ccccc2P2CCC3(CC2(C)C)OCCO3)c1
InChIInChI=1S/C23H29O4P/c1-22(2)16-23(26-10-11-27-23)9-12-28(22)21-8-6-5-7-20(21)17-13-18(24-3)15-19(14-17)25-4/h5-8,13-15H,9-12,16H2,1-4H3
InChIKeyQDWBKTRWXZYZIO-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.79
Rot. Bonds4

About 8-[2-(3,5-dimethoxyphenyl)phenyl]-7,7-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane

8-[2-(3,5-dimethoxyphenyl)phenyl]-7,7-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane (PubChem CID 138511520) has the molecular formula C23H29O4P and a molecular weight of 400.46 g/mol. Its IUPAC name is 8-[2-(3,5-dimethoxyphenyl)phenyl]-7,7-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-(3,5-dimethoxyphenyl)phenyl]-7,7-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane
PubChem CID138511520
Molecular FormulaC23H29O4P
Molecular Weight400.46 g/mol
Exact Mass400.18
IUPAC Name8-[2-(3,5-dimethoxyphenyl)phenyl]-7,7-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane
SMILESCOc1cc(OC)cc(-c2ccccc2P2CCC3(CC2(C)C)OCCO3)c1
InChIInChI=1S/C23H29O4P/c1-22(2)16-23(26-10-11-27-23)9-12-28(22)21-8-6-5-7-20(21)17-13-18(24-3)15-19(14-17)25-4/h5-8,13-15H,9-12,16H2,1-4H3
InChIKeyQDWBKTRWXZYZIO-UHFFFAOYSA-N
XLogP4.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.79
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

1,3-dimethoxy-5-(2-methylphenyl)benzene
CID 86038743
CID 164534113
CID 164534113
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
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
1-[2-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethynyl]phenyl]-3,5-dimethoxybenzene
CID 23727303
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
2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 83958950
1-(3,5-dimethoxyphenyl)-9H-fluorene
CID 152594732
1,3-dimethoxy-5-phenylbenzene
CID 11469945
8-(2-naphthalen-1-ylphenyl)-1,4-dioxa-8-phosphaspiro[4.5]decane
CID 141443497
8-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 654068
8-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 10934332

Frequently Asked Questions

What is the IUPAC name of 8-[2-(3,5-dimethoxyphenyl)phenyl]-7,7-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane?
The IUPAC name of 8-[2-(3,5-dimethoxyphenyl)phenyl]-7,7-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane (CID 138511520) is 8-[2-(3,5-dimethoxyphenyl)phenyl]-7,7-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane.
What is the SMILES notation for 8-[2-(3,5-dimethoxyphenyl)phenyl]-7,7-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane?
The canonical SMILES for 8-[2-(3,5-dimethoxyphenyl)phenyl]-7,7-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane is COc1cc(OC)cc(-c2ccccc2P2CCC3(CC2(C)C)OCCO3)c1.
What is the InChIKey of 8-[2-(3,5-dimethoxyphenyl)phenyl]-7,7-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane?
The InChIKey is QDWBKTRWXZYZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29O4P/c1-22(2)16-23(26-10-11-27-23)9-12-28(22)21-8-6-5-7-20(21)17-13-18(24-3)15-19(14-17)25-4/h5-8,13-15H,9-12,16H2,1-4H3.
What are the key properties of 8-[2-(3,5-dimethoxyphenyl)phenyl]-7,7-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane?
8-[2-(3,5-dimethoxyphenyl)phenyl]-7,7-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane has a molecular weight of 400.46 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3,5-dimethoxyphenyl)phenyl]-7,7-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane is sourced from PubChem (CID 138511520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).