6-[[4-(oxiran-2-ylmethoxy)phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide

C34H26O6P2 — CID 129290034

IUPAC6-[[4-(oxiran-2-ylmethoxy)phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESO=P1(C(c2ccc(OCC3CO3)cc2)P2(=O)Oc3ccccc3-c3ccccc32)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C34H26O6P2/c35-41(32-15-7-3-11-28(32)26-9-1-5-13-30(26)39-41)34(23-17-19-24(20-18-23)37-21-25-22-38-25)42(36)33-16-8-4-12-29(33)27-10-2-6-14-31(27)40-42/h1-20,25,34H,21-22H2
InChIKeyHFMIKYORJWBQQZ-UHFFFAOYSA-N
MW592.52 g/mol
LogP7.79
Rot. Bonds6

About 6-[[4-(oxiran-2-ylmethoxy)phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide

6-[[4-(oxiran-2-ylmethoxy)phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide (PubChem CID 129290034) has the molecular formula C34H26O6P2 and a molecular weight of 592.52 g/mol. Its IUPAC name is 6-[[4-(oxiran-2-ylmethoxy)phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name6-[[4-(oxiran-2-ylmethoxy)phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
PubChem CID129290034
Molecular FormulaC34H26O6P2
Molecular Weight592.52 g/mol
Exact Mass592.12
IUPAC Name6-[[4-(oxiran-2-ylmethoxy)phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESO=P1(C(c2ccc(OCC3CO3)cc2)P2(=O)Oc3ccccc3-c3ccccc32)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C34H26O6P2/c35-41(32-15-7-3-11-28(32)26-9-1-5-13-30(26)39-41)34(23-17-19-24(20-18-23)37-21-25-22-38-25)42(36)33-16-8-4-12-29(33)27-10-2-6-14-31(27)40-42/h1-20,25,34H,21-22H2
InChIKeyHFMIKYORJWBQQZ-UHFFFAOYSA-N
XLogP7.79
TPSA74.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.52
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[[4-(oxiran-2-ylmethoxy)phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide with MolForge

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Related Compounds

4-[4-[[4-[4-[bis(oxiran-2-ylmethyl)amino]phenoxy]phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenoxy]-N,N-bis(oxiran-2-ylmethyl)aniline
CID 59140808
1-[6-(2-hydroxy-3-phenoxypropoxy)-8-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)naphthalen-2-yl]oxy-3-phenoxypropan-2-ol;tetrakis(2-(phenoxymethyl)oxirane);propane
CID 160852317
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[[4-(dibromomethyl)phenoxy]methyl]oxirane
CID 87292739
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
ethene;2-(phenoxymethyl)oxirane
CID 135283522
2-[[4-(2,2,4,4-tetramethylpentan-3-yl)phenoxy]methyl]oxirane
CID 123506072
2,2-dimethyl-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol
CID 14686892
2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol
CID 20662902
2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane
CID 22359743
2-[[2-(oxiran-2-ylmethoxy)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]methyl]oxirane
CID 175751698

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(oxiran-2-ylmethoxy)phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?
The IUPAC name of 6-[[4-(oxiran-2-ylmethoxy)phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide (CID 129290034) is 6-[[4-(oxiran-2-ylmethoxy)phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 6-[[4-(oxiran-2-ylmethoxy)phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?
The canonical SMILES for 6-[[4-(oxiran-2-ylmethoxy)phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide is O=P1(C(c2ccc(OCC3CO3)cc2)P2(=O)Oc3ccccc3-c3ccccc32)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 6-[[4-(oxiran-2-ylmethoxy)phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?
The InChIKey is HFMIKYORJWBQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26O6P2/c35-41(32-15-7-3-11-28(32)26-9-1-5-13-30(26)39-41)34(23-17-19-24(20-18-23)37-21-25-22-38-25)42(36)33-16-8-4-12-29(33)27-10-2-6-14-31(27)40-42/h1-20,25,34H,21-22H2.
What are the key properties of 6-[[4-(oxiran-2-ylmethoxy)phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide?
6-[[4-(oxiran-2-ylmethoxy)phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide has a molecular weight of 592.52 g/mol, XLogP of 7.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(oxiran-2-ylmethoxy)phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 129290034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).