4-tert-butyl-2-cyclohexyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide

C22H27O3P — CID 19595767

IUPAC4-tert-butyl-2-cyclohexyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCC(C)(C)c1cc(C2CCCCC2)cc2c1OP(=O)(O)c1ccccc1-2
InChIInChI=1S/C22H27O3P/c1-22(2,3)19-14-16(15-9-5-4-6-10-15)13-18-17-11-7-8-12-20(17)26(23,24)25-21(18)19/h7-8,11-15H,4-6,9-10H2,1-3H3,(H,23,24)
InChIKeyPSZWQQDZBPPIRU-UHFFFAOYSA-N
MW370.43 g/mol
LogP5.90
Rot. Bonds1

About 4-tert-butyl-2-cyclohexyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide

4-tert-butyl-2-cyclohexyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide (PubChem CID 19595767) has the molecular formula C22H27O3P and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-tert-butyl-2-cyclohexyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name4-tert-butyl-2-cyclohexyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide
PubChem CID19595767
Molecular FormulaC22H27O3P
Molecular Weight370.43 g/mol
Exact Mass370.17
IUPAC Name4-tert-butyl-2-cyclohexyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCC(C)(C)c1cc(C2CCCCC2)cc2c1OP(=O)(O)c1ccccc1-2
InChIInChI=1S/C22H27O3P/c1-22(2,3)19-14-16(15-9-5-4-6-10-15)13-18-17-11-7-8-12-20(17)26(23,24)25-21(18)19/h7-8,11-15H,4-6,9-10H2,1-3H3,(H,23,24)
InChIKeyPSZWQQDZBPPIRU-UHFFFAOYSA-N
XLogP5.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-2-cyclohexyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide 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

7-tert-butyl-9-cyclohexyl-6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 139761159
tert-butylbenzene;cyclohexylbenzene
CID 158089404
6-hydroxy-2-(2,4,4-trimethylpentan-2-yl)benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 87388233
2-tert-butyl-4-(4-cyclohexylphenyl)phenol
CID 19694694
lithium 2,4,8-tritert-butyl-6-oxidobenzo[c][1,2]benzoxaphosphinine 6-oxide
CID 23716759
1,3,5-tricyclopentylbenzene
CID 611596
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
12-hydroxy-3,8-dimethyl-1,10-bis(2,4,6-tricyclohexylphenyl)-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide
CID 164665505
10,16-dicyclohexyl-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 23110729
potassium;hydride;6-hydroxy-2-phenylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 173353051
2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol
CID 158976886

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-cyclohexyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide?
The IUPAC name of 4-tert-butyl-2-cyclohexyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide (CID 19595767) is 4-tert-butyl-2-cyclohexyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 4-tert-butyl-2-cyclohexyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide?
The canonical SMILES for 4-tert-butyl-2-cyclohexyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide is CC(C)(C)c1cc(C2CCCCC2)cc2c1OP(=O)(O)c1ccccc1-2.
What is the InChIKey of 4-tert-butyl-2-cyclohexyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide?
The InChIKey is PSZWQQDZBPPIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27O3P/c1-22(2,3)19-14-16(15-9-5-4-6-10-15)13-18-17-11-7-8-12-20(17)26(23,24)25-21(18)19/h7-8,11-15H,4-6,9-10H2,1-3H3,(H,23,24).
What are the key properties of 4-tert-butyl-2-cyclohexyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide?
4-tert-butyl-2-cyclohexyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide has a molecular weight of 370.43 g/mol, XLogP of 5.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-cyclohexyl-6-hydroxybenzo[c][1,2]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 19595767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).