1-[4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]butan-2-ol

C23H23O3P — CID 23594103

IUPAC1-[4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]butan-2-ol
SMILESCCC(O)Cc1ccc(CP2(=O)Oc3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C23H23O3P/c1-2-19(24)15-17-11-13-18(14-12-17)16-27(25)23-10-6-4-8-21(23)20-7-3-5-9-22(20)26-27/h3-14,19,24H,2,15-16H2,1H3
InChIKeyYEHRBMZLWREIRC-UHFFFAOYSA-N
MW378.41 g/mol
LogP5.16
Rot. Bonds5

About 1-[4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]butan-2-ol

1-[4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]butan-2-ol (PubChem CID 23594103) has the molecular formula C23H23O3P and a molecular weight of 378.41 g/mol. Its IUPAC name is 1-[4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]butan-2-ol.

Molecular Properties

Compound Name1-[4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]butan-2-ol
PubChem CID23594103
Molecular FormulaC23H23O3P
Molecular Weight378.41 g/mol
Exact Mass378.14
IUPAC Name1-[4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]butan-2-ol
SMILESCCC(O)Cc1ccc(CP2(=O)Oc3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C23H23O3P/c1-2-19(24)15-17-11-13-18(14-12-17)16-27(25)23-10-6-4-8-21(23)20-7-3-5-9-22(20)26-27/h3-14,19,24H,2,15-16H2,1H3
InChIKeyYEHRBMZLWREIRC-UHFFFAOYSA-N
XLogP5.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.41
LogP ≤ 55.16
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

4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol
CID 126692418
6-[(4-methylphenyl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 23594102
3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol
CID 20662894
CID 157451486
CID 157451486
6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 122684857
2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioic acid
CID 6454648
(2S)-2-[[(6S)-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl]methyl]butanedioic acid
CID 86312699
[2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl] dihydrogen phosphite
CID 139373130
triethoxy-[2-[(6R)-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl]ethyl]silane
CID 157290847
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
4-(2-hydroxy-2-methylpropoxy)-4-oxo-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanoic acid;propane
CID 142563895

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]butan-2-ol?
The IUPAC name of 1-[4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]butan-2-ol (CID 23594103) is 1-[4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]butan-2-ol.
What is the SMILES notation for 1-[4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]butan-2-ol?
The canonical SMILES for 1-[4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]butan-2-ol is CCC(O)Cc1ccc(CP2(=O)Oc3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 1-[4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]butan-2-ol?
The InChIKey is YEHRBMZLWREIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23O3P/c1-2-19(24)15-17-11-13-18(14-12-17)16-27(25)23-10-6-4-8-21(23)20-7-3-5-9-22(20)26-27/h3-14,19,24H,2,15-16H2,1H3.
What are the key properties of 1-[4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]butan-2-ol?
1-[4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]butan-2-ol has a molecular weight of 378.41 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]butan-2-ol is sourced from PubChem (CID 23594103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).