2-butan-2-yl-6-[2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanylbutan-2-yl]phenol

C23H33O2P — CID 71040018

IUPAC2-butan-2-yl-6-[2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanylbutan-2-yl]phenol
SMILESCCC(C)c1cccc(C(C)(CC)Pc2ccc(C)cc2C(C)O)c1O
InChIInChI=1S/C23H33O2P/c1-7-16(4)18-10-9-11-20(22(18)25)23(6,8-2)26-21-13-12-15(3)14-19(21)17(5)24/h9-14,16-17,24-26H,7-8H2,1-6H3
InChIKeyDZBIKBNHCRQTQP-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.90
Rot. Bonds7

About 2-butan-2-yl-6-[2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanylbutan-2-yl]phenol

2-butan-2-yl-6-[2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanylbutan-2-yl]phenol (PubChem CID 71040018) has the molecular formula C23H33O2P and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-butan-2-yl-6-[2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanylbutan-2-yl]phenol.

Molecular Properties

Compound Name2-butan-2-yl-6-[2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanylbutan-2-yl]phenol
PubChem CID71040018
Molecular FormulaC23H33O2P
Molecular Weight372.49 g/mol
Exact Mass372.22
IUPAC Name2-butan-2-yl-6-[2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanylbutan-2-yl]phenol
SMILESCCC(C)c1cccc(C(C)(CC)Pc2ccc(C)cc2C(C)O)c1O
InChIInChI=1S/C23H33O2P/c1-7-16(4)18-10-9-11-20(22(18)25)23(6,8-2)26-21-13-12-15(3)14-19(21)17(5)24/h9-14,16-17,24-26H,7-8H2,1-6H3
InChIKeyDZBIKBNHCRQTQP-UHFFFAOYSA-N
XLogP5.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.90
H-Bond Donors ≤ 52
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 2-butan-2-yl-6-[2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanylbutan-2-yl]phenol?
The IUPAC name of 2-butan-2-yl-6-[2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanylbutan-2-yl]phenol (CID 71040018) is 2-butan-2-yl-6-[2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanylbutan-2-yl]phenol.
What is the SMILES notation for 2-butan-2-yl-6-[2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanylbutan-2-yl]phenol?
The canonical SMILES for 2-butan-2-yl-6-[2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanylbutan-2-yl]phenol is CCC(C)c1cccc(C(C)(CC)Pc2ccc(C)cc2C(C)O)c1O.
What is the InChIKey of 2-butan-2-yl-6-[2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanylbutan-2-yl]phenol?
The InChIKey is DZBIKBNHCRQTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33O2P/c1-7-16(4)18-10-9-11-20(22(18)25)23(6,8-2)26-21-13-12-15(3)14-19(21)17(5)24/h9-14,16-17,24-26H,7-8H2,1-6H3.
What are the key properties of 2-butan-2-yl-6-[2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanylbutan-2-yl]phenol?
2-butan-2-yl-6-[2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanylbutan-2-yl]phenol has a molecular weight of 372.49 g/mol, XLogP of 5.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6-[2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanylbutan-2-yl]phenol is sourced from PubChem (CID 71040018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).