bis[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphane;hydrochloride

C20H28ClO2P — CID 67297823

IUPACbis[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphane;hydrochloride
SMILESCC(C)(C)Oc1ccc(Pc2ccc(OC(C)(C)C)cc2)cc1.Cl
InChIInChI=1S/C20H27O2P.ClH/c1-19(2,3)21-15-7-11-17(12-8-15)23-18-13-9-16(10-14-18)22-20(4,5)6;/h7-14,23H,1-6H3;1H
InChIKeyVEBKQOMPRRPINW-UHFFFAOYSA-N
MW366.87 g/mol
LogP5.09
Rot. Bonds4

About bis[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphane;hydrochloride

bis[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphane;hydrochloride (PubChem CID 67297823) has the molecular formula C20H28ClO2P and a molecular weight of 366.87 g/mol. Its IUPAC name is bis[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphane;hydrochloride.

Molecular Properties

Compound Namebis[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphane;hydrochloride
PubChem CID67297823
Molecular FormulaC20H28ClO2P
Molecular Weight366.87 g/mol
Exact Mass366.15
IUPAC Namebis[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphane;hydrochloride
SMILESCC(C)(C)Oc1ccc(Pc2ccc(OC(C)(C)C)cc2)cc1.Cl
InChIInChI=1S/C20H27O2P.ClH/c1-19(2,3)21-15-7-11-17(12-8-15)23-18-13-9-16(10-14-18)22-20(4,5)6;/h7-14,23H,1-6H3;1H
InChIKeyVEBKQOMPRRPINW-UHFFFAOYSA-N
XLogP5.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.87
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methylpropan-2-yl)oxy]phenol
CID 2773621
bis(4-[(2-methylpropan-2-yl)oxy]phenol);zirconium
CID 158294548
1-[(2-methylpropan-2-yl)oxy]-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 153455633
1-[(2-methylpropan-2-yl)oxy]-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylbenzene
CID 126746102
tetrakis[4-[(2-methylpropan-2-yl)oxy]phenyl]boranuide
CID 140853647
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182
1,1,2,2-tetrakis[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diol
CID 58750857
ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 157281363
1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 535218
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 577531
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 158836973
trichloro-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane
CID 71403071

Frequently Asked Questions

What is the IUPAC name of bis[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphane;hydrochloride?
The IUPAC name of bis[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphane;hydrochloride (CID 67297823) is bis[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphane;hydrochloride.
What is the SMILES notation for bis[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphane;hydrochloride?
The canonical SMILES for bis[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphane;hydrochloride is CC(C)(C)Oc1ccc(Pc2ccc(OC(C)(C)C)cc2)cc1.Cl.
What is the InChIKey of bis[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphane;hydrochloride?
The InChIKey is VEBKQOMPRRPINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27O2P.ClH/c1-19(2,3)21-15-7-11-17(12-8-15)23-18-13-9-16(10-14-18)22-20(4,5)6;/h7-14,23H,1-6H3;1H.
What are the key properties of bis[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphane;hydrochloride?
bis[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphane;hydrochloride has a molecular weight of 366.87 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphane;hydrochloride is sourced from PubChem (CID 67297823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).