1-(4-chlorophenyl)-2-diphenylphosphoryl-2-methylpropan-1-ol

C22H22ClO2P — CID 101093613

IUPAC1-(4-chlorophenyl)-2-diphenylphosphoryl-2-methylpropan-1-ol
SMILESCC(C)(C(O)c1ccc(Cl)cc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22ClO2P/c1-22(2,21(24)17-13-15-18(23)16-14-17)26(25,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,21,24H,1-2H3
InChIKeyVIDSMKMUIMTIES-UHFFFAOYSA-N
MW384.84 g/mol
LogP5.17
Rot. Bonds5

About 1-(4-chlorophenyl)-2-diphenylphosphoryl-2-methylpropan-1-ol

1-(4-chlorophenyl)-2-diphenylphosphoryl-2-methylpropan-1-ol (PubChem CID 101093613) has the molecular formula C22H22ClO2P and a molecular weight of 384.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-diphenylphosphoryl-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-diphenylphosphoryl-2-methylpropan-1-ol
PubChem CID101093613
Molecular FormulaC22H22ClO2P
Molecular Weight384.84 g/mol
Exact Mass384.10
IUPAC Name1-(4-chlorophenyl)-2-diphenylphosphoryl-2-methylpropan-1-ol
SMILESCC(C)(C(O)c1ccc(Cl)cc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22ClO2P/c1-22(2,21(24)17-13-15-18(23)16-14-17)26(25,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,21,24H,1-2H3
InChIKeyVIDSMKMUIMTIES-UHFFFAOYSA-N
XLogP5.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.84
LogP ≤ 55.17
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

(1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 58172166
1-(4-chlorophenyl)-2-ethylbutane-1,2-diol
CID 103449208
2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol
CID 156884075
1-diphenylphosphoryl-1-phenylethanol
CID 155934602
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
1-[1,2-bis(diphenylphosphoryl)ethyl]-4-chlorobenzene
CID 132942198
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(2-hydroxyphenyl)-2-methylpropan-1-one
CID 59052450
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide
CID 134948149
acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 71336866
[bromo-(4-chlorophenyl)methyl]phosphonic acid
CID 19909702
2-[(4-chlorophenyl)-hydroxymethyl]butanoic acid
CID 62396823
1-chloro-4-(diphenylphosphorylmethyl)benzene
CID 14941259

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-diphenylphosphoryl-2-methylpropan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-2-diphenylphosphoryl-2-methylpropan-1-ol (CID 101093613) is 1-(4-chlorophenyl)-2-diphenylphosphoryl-2-methylpropan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-diphenylphosphoryl-2-methylpropan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2-diphenylphosphoryl-2-methylpropan-1-ol is CC(C)(C(O)c1ccc(Cl)cc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-diphenylphosphoryl-2-methylpropan-1-ol?
The InChIKey is VIDSMKMUIMTIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClO2P/c1-22(2,21(24)17-13-15-18(23)16-14-17)26(25,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,21,24H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-diphenylphosphoryl-2-methylpropan-1-ol?
1-(4-chlorophenyl)-2-diphenylphosphoryl-2-methylpropan-1-ol has a molecular weight of 384.84 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-diphenylphosphoryl-2-methylpropan-1-ol is sourced from PubChem (CID 101093613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).