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

C19H15O3P — CID 126692418

IUPAC4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol
SMILESO=P1(Cc2ccc(O)cc2)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C19H15O3P/c20-15-11-9-14(10-12-15)13-23(21)19-8-4-2-6-17(19)16-5-1-3-7-18(16)22-23/h1-12,20H,13H2
InChIKeyUNQVHXNJOJYTPT-UHFFFAOYSA-N
MW322.30 g/mol
LogP4.56
Rot. Bonds2

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

4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol (PubChem CID 126692418) has the molecular formula C19H15O3P and a molecular weight of 322.30 g/mol. Its IUPAC name is 4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol
PubChem CID126692418
Molecular FormulaC19H15O3P
Molecular Weight322.30 g/mol
Exact Mass322.08
IUPAC Name4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol
SMILESO=P1(Cc2ccc(O)cc2)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C19H15O3P/c20-15-11-9-14(10-12-15)13-23(21)19-8-4-2-6-17(19)16-5-1-3-7-18(16)22-23/h1-12,20H,13H2
InChIKeyUNQVHXNJOJYTPT-UHFFFAOYSA-N
XLogP4.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 54.56
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
1,3-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]urea
CID 155313188
6-ethyl-2,4-dimethyl-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol
CID 59078187
6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 174185485
[2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl] dihydrogen phosphite
CID 139373130
3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol
CID 20662894
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
6-(3,3-dimethylbutyl)benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 58986432
4-[[4-hydroxy-3-[(4-hydroxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]methyl]-2-[(4-hydroxyphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol
CID 149359269
2-[[4-[(2-hydroxyphenyl)methyl-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]amino]-N-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]anilino]methyl]phenol
CID 102195564
6-[4-[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenyl]ethyl]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 145489714

Frequently Asked Questions

What is the IUPAC name of 4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol?
The IUPAC name of 4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol (CID 126692418) is 4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol.
What is the SMILES notation for 4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol?
The canonical SMILES for 4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol is O=P1(Cc2ccc(O)cc2)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol?
The InChIKey is UNQVHXNJOJYTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15O3P/c20-15-11-9-14(10-12-15)13-23(21)19-8-4-2-6-17(19)16-5-1-3-7-18(16)22-23/h1-12,20H,13H2.
What are the key properties of 4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol?
4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol has a molecular weight of 322.30 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol is sourced from PubChem (CID 126692418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).