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

C51H38O8P2 — CID 149359269

IUPAC4-[[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
SMILESO=P1(C(c2ccc(O)cc2)c2cc(Cc3ccc(O)c(C(c4ccc(O)cc4)P4(=O)Oc5ccccc5-c5ccccc54)c3)ccc2O)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C51H38O8P2/c52-36-23-19-34(20-24-36)50(60(56)48-15-7-3-11-40(48)38-9-1-5-13-46(38)58-60)42-30-32(17-27-44(42)54)29-33-18-28-45(55)43(31-33)51(35-21-25-37(53)26-22-35)61(57)49-16-8-4-12-41(49)39-10-2-6-14-47(39)59-61/h1-28,30-31,50-55H,29H2
InChIKeyYHOVVPMQULIBHC-UHFFFAOYSA-N
MW840.81 g/mol
LogP11.60
Rot. Bonds8

About 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

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 (PubChem CID 149359269) has the molecular formula C51H38O8P2 and a molecular weight of 840.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[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
PubChem CID149359269
Molecular FormulaC51H38O8P2
Molecular Weight840.81 g/mol
Exact Mass840.20
IUPAC Name4-[[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
SMILESO=P1(C(c2ccc(O)cc2)c2cc(Cc3ccc(O)c(C(c4ccc(O)cc4)P4(=O)Oc5ccccc5-c5ccccc54)c3)ccc2O)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C51H38O8P2/c52-36-23-19-34(20-24-36)50(60(56)48-15-7-3-11-40(48)38-9-1-5-13-46(38)58-60)42-30-32(17-27-44(42)54)29-33-18-28-45(55)43(31-33)51(35-21-25-37(53)26-22-35)61(57)49-16-8-4-12-41(49)39-10-2-6-14-47(39)59-61/h1-28,30-31,50-55H,29H2
InChIKeyYHOVVPMQULIBHC-UHFFFAOYSA-N
XLogP11.60
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.81
LogP ≤ 511.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

ethane;2-[1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)ethyl]phenol
CID 159602454
4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenol
CID 126692418
2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol
CID 20662902
1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]pyrrole-2,5-dione
CID 22966632
[3-[hydroxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]naphthalen-2-yl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol
CID 126498091
6-[(4-ethenylphenyl)methoxy-[4-[(4-ethenylphenyl)methoxy-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 126498108
(3-chlorophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol
CID 14686914
6-hexan-3-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 130416777
1-N-methyl-4-N-[4-[4-[[4-(4-methylphenoxy)phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenoxy]phenyl]benzene-1,4-dicarboxamide
CID 59140803
6-[4-[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenyl]ethyl]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 145489714
6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 122684857
2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol
CID 69188652

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=P1(C(c2ccc(O)cc2)c2cc(Cc3ccc(O)c(C(c4ccc(O)cc4)P4(=O)Oc5ccccc5-c5ccccc54)c3)ccc2O)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 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?
The InChIKey is YHOVVPMQULIBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38O8P2/c52-36-23-19-34(20-24-36)50(60(56)48-15-7-3-11-40(48)38-9-1-5-13-46(38)58-60)42-30-32(17-27-44(42)54)29-33-18-28-45(55)43(31-33)51(35-21-25-37(53)26-22-35)61(57)49-16-8-4-12-41(49)39-10-2-6-14-47(39)59-61/h1-28,30-31,50-55H,29H2.
What are the key properties of 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?
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 has a molecular weight of 840.81 g/mol, XLogP of 11.60, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 149359269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).