6-ethyl-2,4-dimethyl-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol

C23H23O3P — CID 59078187

IUPAC6-ethyl-2,4-dimethyl-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol
SMILESCCc1cc(C)c(CP2(=O)Oc3ccccc3-c3ccccc32)c(C)c1O
InChIInChI=1S/C23H23O3P/c1-4-17-13-15(2)20(16(3)23(17)24)14-27(25)22-12-8-6-10-19(22)18-9-5-7-11-21(18)26-27/h5-13,24H,4,14H2,1-3H3
InChIKeyPEJZRDWNPRAFMQ-UHFFFAOYSA-N
MW378.41 g/mol
LogP5.73
Rot. Bonds3

About 6-ethyl-2,4-dimethyl-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol

6-ethyl-2,4-dimethyl-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol (PubChem CID 59078187) has the molecular formula C23H23O3P and a molecular weight of 378.41 g/mol. Its IUPAC name is 6-ethyl-2,4-dimethyl-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol.

Molecular Properties

Compound Name6-ethyl-2,4-dimethyl-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol
PubChem CID59078187
Molecular FormulaC23H23O3P
Molecular Weight378.41 g/mol
Exact Mass378.14
IUPAC Name6-ethyl-2,4-dimethyl-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol
SMILESCCc1cc(C)c(CP2(=O)Oc3ccccc3-c3ccccc32)c(C)c1O
InChIInChI=1S/C23H23O3P/c1-4-17-13-15(2)20(16(3)23(17)24)14-27(25)22-12-8-6-10-19(22)18-9-5-7-11-21(18)26-27/h5-13,24H,4,14H2,1-3H3
InChIKeyPEJZRDWNPRAFMQ-UHFFFAOYSA-N
XLogP5.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.41
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(4-methylphenyl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 23594102
4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol
CID 126692418
CID 157451486
CID 157451486
1-[4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]butan-2-ol
CID 23594103
1,3-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]urea
CID 155313188
6-methyl-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]heptane-2,5-dione
CID 142563894
N,N-bis[2-[bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]amino]ethyl]-N',N'-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]ethane-1,2-diamine
CID 164746026
6-[[5-[2-[3,5-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]propan-2-yl]-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 122501167
[2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl] dihydrogen phosphite
CID 139373130
6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 122684857
triethoxy-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]silane
CID 161173372
(2S)-2-[[(6S)-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl]methyl]butanedioic acid
CID 86312699

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,4-dimethyl-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol?
The IUPAC name of 6-ethyl-2,4-dimethyl-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol (CID 59078187) is 6-ethyl-2,4-dimethyl-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol.
What is the SMILES notation for 6-ethyl-2,4-dimethyl-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol?
The canonical SMILES for 6-ethyl-2,4-dimethyl-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol is CCc1cc(C)c(CP2(=O)Oc3ccccc3-c3ccccc32)c(C)c1O.
What is the InChIKey of 6-ethyl-2,4-dimethyl-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol?
The InChIKey is PEJZRDWNPRAFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23O3P/c1-4-17-13-15(2)20(16(3)23(17)24)14-27(25)22-12-8-6-10-19(22)18-9-5-7-11-21(18)26-27/h5-13,24H,4,14H2,1-3H3.
What are the key properties of 6-ethyl-2,4-dimethyl-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol?
6-ethyl-2,4-dimethyl-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol has a molecular weight of 378.41 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,4-dimethyl-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol is sourced from PubChem (CID 59078187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).