6-hydroxy-2,8-bis(2-phenylpropan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide

C30H29O3P — CID 19595811

IUPAC6-hydroxy-2,8-bis(2-phenylpropan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCC(C)(c1ccccc1)c1ccc2c(c1)-c1ccc(C(C)(C)c3ccccc3)cc1P(=O)(O)O2
InChIInChI=1S/C30H29O3P/c1-29(2,21-11-7-5-8-12-21)23-16-18-27-26(19-23)25-17-15-24(20-28(25)34(31,32)33-27)30(3,4)22-13-9-6-10-14-22/h5-20H,1-4H3,(H,31,32)
InChIKeyCIRMSZAIMGZQLS-UHFFFAOYSA-N
MW468.53 g/mol
LogP7.21
Rot. Bonds4

About 6-hydroxy-2,8-bis(2-phenylpropan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide

6-hydroxy-2,8-bis(2-phenylpropan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide (PubChem CID 19595811) has the molecular formula C30H29O3P and a molecular weight of 468.53 g/mol. Its IUPAC name is 6-hydroxy-2,8-bis(2-phenylpropan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name6-hydroxy-2,8-bis(2-phenylpropan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide
PubChem CID19595811
Molecular FormulaC30H29O3P
Molecular Weight468.53 g/mol
Exact Mass468.19
IUPAC Name6-hydroxy-2,8-bis(2-phenylpropan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCC(C)(c1ccccc1)c1ccc2c(c1)-c1ccc(C(C)(C)c3ccccc3)cc1P(=O)(O)O2
InChIInChI=1S/C30H29O3P/c1-29(2,21-11-7-5-8-12-21)23-16-18-27-26(19-23)25-17-15-24(20-28(25)34(31,32)33-27)30(3,4)22-13-9-6-10-14-22/h5-20H,1-4H3,(H,31,32)
InChIKeyCIRMSZAIMGZQLS-UHFFFAOYSA-N
XLogP7.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.53
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,8-bis(2-phenylpropan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide?
The IUPAC name of 6-hydroxy-2,8-bis(2-phenylpropan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide (CID 19595811) is 6-hydroxy-2,8-bis(2-phenylpropan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 6-hydroxy-2,8-bis(2-phenylpropan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide?
The canonical SMILES for 6-hydroxy-2,8-bis(2-phenylpropan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide is CC(C)(c1ccccc1)c1ccc2c(c1)-c1ccc(C(C)(C)c3ccccc3)cc1P(=O)(O)O2.
What is the InChIKey of 6-hydroxy-2,8-bis(2-phenylpropan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide?
The InChIKey is CIRMSZAIMGZQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29O3P/c1-29(2,21-11-7-5-8-12-21)23-16-18-27-26(19-23)25-17-15-24(20-28(25)34(31,32)33-27)30(3,4)22-13-9-6-10-14-22/h5-20H,1-4H3,(H,31,32).
What are the key properties of 6-hydroxy-2,8-bis(2-phenylpropan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide?
6-hydroxy-2,8-bis(2-phenylpropan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide has a molecular weight of 468.53 g/mol, XLogP of 7.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,8-bis(2-phenylpropan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 19595811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).