benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;formaldehyde;urea

C14H14N2O4P+ — CID 174856455

IUPACbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;formaldehyde;urea
SMILESC=O.NC(N)=O.O=[p+]1oc2ccccc2c2ccccc21
InChIInChI=1S/C12H8O2P.CH4N2O.CH2O/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15;2-1(3)4;1-2/h1-8H;(H4,2,3,4);1H2/q+1;;
InChIKeyYGIQYRXABLUIQF-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.17
Rot. Bonds

About benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;formaldehyde;urea

benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;formaldehyde;urea (PubChem CID 174856455) has the molecular formula C14H14N2O4P+ and a molecular weight of 305.25 g/mol. Its IUPAC name is benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;formaldehyde;urea.

Molecular Properties

Compound Namebenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;formaldehyde;urea
PubChem CID174856455
Molecular FormulaC14H14N2O4P+
Molecular Weight305.25 g/mol
Exact Mass305.07
IUPAC Namebenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;formaldehyde;urea
SMILESC=O.NC(N)=O.O=[p+]1oc2ccccc2c2ccccc21
InChIInChI=1S/C12H8O2P.CH4N2O.CH2O/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15;2-1(3)4;1-2/h1-8H;(H4,2,3,4);1H2/q+1;;
InChIKeyYGIQYRXABLUIQF-UHFFFAOYSA-N
XLogP3.17
TPSA116.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;formaldehyde;urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;methyl prop-2-enoate
CID 162094709
CID 174936567
CID 174936567
benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;hydroxy-[2-(2-hydroxyphenyl)phenyl]-oxophosphanium;hydrate
CID 158608663
benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;1,1,2-trichloropropyl dihydrogen phosphate
CID 122698441
8-propan-2-ylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide
CID 19595721
2-benzylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 19595781
2-(1-phenylethyl)benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 19595776
4-methylidene-3-prop-2-enylidene-2,1-benzoxaphosphinin-1-ium 1-oxide
CID 123980732
9-(2,4,4-trimethylpentan-2-yl)benzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide
CID 139755068
7-tert-butylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide
CID 141286509
4-propan-2-ylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 19595742
benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;methane;2-methyloxirane;molecular iodine;1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butan-2-ol
CID 157394567

Frequently Asked Questions

What is the IUPAC name of benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;formaldehyde;urea?
The IUPAC name of benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;formaldehyde;urea (CID 174856455) is benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;formaldehyde;urea.
What is the SMILES notation for benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;formaldehyde;urea?
The canonical SMILES for benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;formaldehyde;urea is C=O.NC(N)=O.O=[p+]1oc2ccccc2c2ccccc21.
What is the InChIKey of benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;formaldehyde;urea?
The InChIKey is YGIQYRXABLUIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2P.CH4N2O.CH2O/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15;2-1(3)4;1-2/h1-8H;(H4,2,3,4);1H2/q+1;;.
What are the key properties of benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;formaldehyde;urea?
benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;formaldehyde;urea has a molecular weight of 305.25 g/mol, XLogP of 3.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;formaldehyde;urea is sourced from PubChem (CID 174856455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).