1-[2-[2-(dimethylamino)-6-methoxyphenyl]phenyl]-2,2-dimethyl-6-methylidenephosphinan-4-one

C23H28NO2P — CID 129189827

IUPAC1-[2-[2-(dimethylamino)-6-methoxyphenyl]phenyl]-2,2-dimethyl-6-methylidenephosphinan-4-one
SMILESC=C1CC(=O)CC(C)(C)P1c1ccccc1-c1c(OC)cccc1N(C)C
InChIInChI=1S/C23H28NO2P/c1-16-14-17(25)15-23(2,3)27(16)21-13-8-7-10-18(21)22-19(24(4)5)11-9-12-20(22)26-6/h7-13H,1,14-15H2,2-6H3
InChIKeySPIDZRGUVVSGLJ-UHFFFAOYSA-N
MW381.46 g/mol
LogP5.19
Rot. Bonds4

About 1-[2-[2-(dimethylamino)-6-methoxyphenyl]phenyl]-2,2-dimethyl-6-methylidenephosphinan-4-one

1-[2-[2-(dimethylamino)-6-methoxyphenyl]phenyl]-2,2-dimethyl-6-methylidenephosphinan-4-one (PubChem CID 129189827) has the molecular formula C23H28NO2P and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)-6-methoxyphenyl]phenyl]-2,2-dimethyl-6-methylidenephosphinan-4-one.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)-6-methoxyphenyl]phenyl]-2,2-dimethyl-6-methylidenephosphinan-4-one
PubChem CID129189827
Molecular FormulaC23H28NO2P
Molecular Weight381.46 g/mol
Exact Mass381.19
IUPAC Name1-[2-[2-(dimethylamino)-6-methoxyphenyl]phenyl]-2,2-dimethyl-6-methylidenephosphinan-4-one
SMILESC=C1CC(=O)CC(C)(C)P1c1ccccc1-c1c(OC)cccc1N(C)C
InChIInChI=1S/C23H28NO2P/c1-16-14-17(25)15-23(2,3)27(16)21-13-8-7-10-18(21)22-19(24(4)5)11-9-12-20(22)26-6/h7-13H,1,14-15H2,2-6H3
InChIKeySPIDZRGUVVSGLJ-UHFFFAOYSA-N
XLogP5.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.46
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
1-(dimethylamino)-4-methoxyanthracene-9,10-dione
CID 12750463
4-methoxy-3-methylideneinden-1-one
CID 14973064
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
5-methoxy-2,2-dimethyl-3H-chromen-4-one
CID 11790374
2-(2-bromo-3,6-dimethoxyphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
CID 171921336
8-methoxy-3,3-dimethyl-4-methylidene-1,2-dihydronaphthalene
CID 12784473
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
3-(2,6-dimethoxyphenyl)cyclopent-2-en-1-one
CID 116811052
(3aS,9bS)-6-methoxy-3a-methyl-5-methylidene-1,2,4,9b-tetrahydrocyclopenta[a]naphthalen-3-one
CID 10586260
1,5-dimethoxyfluoren-9-one
CID 19594782
4,7-dimethoxy-2,2-dimethyl-3H-inden-1-one
CID 18614118

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)-6-methoxyphenyl]phenyl]-2,2-dimethyl-6-methylidenephosphinan-4-one?
The IUPAC name of 1-[2-[2-(dimethylamino)-6-methoxyphenyl]phenyl]-2,2-dimethyl-6-methylidenephosphinan-4-one (CID 129189827) is 1-[2-[2-(dimethylamino)-6-methoxyphenyl]phenyl]-2,2-dimethyl-6-methylidenephosphinan-4-one.
What is the SMILES notation for 1-[2-[2-(dimethylamino)-6-methoxyphenyl]phenyl]-2,2-dimethyl-6-methylidenephosphinan-4-one?
The canonical SMILES for 1-[2-[2-(dimethylamino)-6-methoxyphenyl]phenyl]-2,2-dimethyl-6-methylidenephosphinan-4-one is C=C1CC(=O)CC(C)(C)P1c1ccccc1-c1c(OC)cccc1N(C)C.
What is the InChIKey of 1-[2-[2-(dimethylamino)-6-methoxyphenyl]phenyl]-2,2-dimethyl-6-methylidenephosphinan-4-one?
The InChIKey is SPIDZRGUVVSGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28NO2P/c1-16-14-17(25)15-23(2,3)27(16)21-13-8-7-10-18(21)22-19(24(4)5)11-9-12-20(22)26-6/h7-13H,1,14-15H2,2-6H3.
What are the key properties of 1-[2-[2-(dimethylamino)-6-methoxyphenyl]phenyl]-2,2-dimethyl-6-methylidenephosphinan-4-one?
1-[2-[2-(dimethylamino)-6-methoxyphenyl]phenyl]-2,2-dimethyl-6-methylidenephosphinan-4-one has a molecular weight of 381.46 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)-6-methoxyphenyl]phenyl]-2,2-dimethyl-6-methylidenephosphinan-4-one is sourced from PubChem (CID 129189827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).