6-hydroxy-9-(2,4,4-trimethylpentan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide

C20H25O3P — CID 139761145

IUPAC6-hydroxy-9-(2,4,4-trimethylpentan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCC(C)(C)CC(C)(C)c1ccc2c(c1)-c1ccccc1OP2(=O)O
InChIInChI=1S/C20H25O3P/c1-19(2,3)13-20(4,5)14-10-11-18-16(12-14)15-8-6-7-9-17(15)23-24(18,21)22/h6-12H,13H2,1-5H3,(H,21,22)
InChIKeyHVCSLPXPYIVLHO-UHFFFAOYSA-N
MW344.39 g/mol
LogP5.27
Rot. Bonds2

About 6-hydroxy-9-(2,4,4-trimethylpentan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide

6-hydroxy-9-(2,4,4-trimethylpentan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide (PubChem CID 139761145) has the molecular formula C20H25O3P and a molecular weight of 344.39 g/mol. Its IUPAC name is 6-hydroxy-9-(2,4,4-trimethylpentan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name6-hydroxy-9-(2,4,4-trimethylpentan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide
PubChem CID139761145
Molecular FormulaC20H25O3P
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name6-hydroxy-9-(2,4,4-trimethylpentan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCC(C)(C)CC(C)(C)c1ccc2c(c1)-c1ccccc1OP2(=O)O
InChIInChI=1S/C20H25O3P/c1-19(2,3)13-20(4,5)14-10-11-18-16(12-14)15-8-6-7-9-17(15)23-24(18,21)22/h6-12H,13H2,1-5H3,(H,21,22)
InChIKeyHVCSLPXPYIVLHO-UHFFFAOYSA-N
XLogP5.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.39
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-2-(2,4,4-trimethylpentan-2-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 87388233
9-tert-butyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide
CID 139761105
6-hydroxy-9-methylbenzo[c][1,2]benzoxaphosphinine 6-oxide
CID 139761151
6-hydroxy-2,8-bis(2-phenylpropan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide
CID 19595811
8-butan-2-yl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide
CID 19595737
6-hydroxy-2-propylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 154102963
2-[2-hydroxy-3-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 102323518
2-(2,4,4-trimethylpentan-2-yl)naphthalene
CID 18987503
2-methyl-5-(2,4,4-trimethylpentan-2-yl)-1-benzofuran-3-one
CID 63398771
2-fluoro-6-phenyl-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 141312025
2-phenyl-4-(2,4,4-trimethylpentan-2-yl)phenol;2H-triazole
CID 155126723
potassium;hydride;6-hydroxy-2-phenylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 173353051

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-9-(2,4,4-trimethylpentan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide?
The IUPAC name of 6-hydroxy-9-(2,4,4-trimethylpentan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide (CID 139761145) is 6-hydroxy-9-(2,4,4-trimethylpentan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 6-hydroxy-9-(2,4,4-trimethylpentan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide?
The canonical SMILES for 6-hydroxy-9-(2,4,4-trimethylpentan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide is CC(C)(C)CC(C)(C)c1ccc2c(c1)-c1ccccc1OP2(=O)O.
What is the InChIKey of 6-hydroxy-9-(2,4,4-trimethylpentan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide?
The InChIKey is HVCSLPXPYIVLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25O3P/c1-19(2,3)13-20(4,5)14-10-11-18-16(12-14)15-8-6-7-9-17(15)23-24(18,21)22/h6-12H,13H2,1-5H3,(H,21,22).
What are the key properties of 6-hydroxy-9-(2,4,4-trimethylpentan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide?
6-hydroxy-9-(2,4,4-trimethylpentan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide has a molecular weight of 344.39 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-9-(2,4,4-trimethylpentan-2-yl)benzo[c][1,2]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 139761145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).