benzhydryl-chloro-(2,4,6-trimethylphenyl)phosphane

C22H22ClP — CID 13256137

IUPACbenzhydryl-chloro-(2,4,6-trimethylphenyl)phosphane
SMILESCc1cc(C)c(P(Cl)C(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C22H22ClP/c1-16-14-17(2)21(18(3)15-16)24(23)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,22H,1-3H3
InChIKeyBMSQTXZVVNMKSN-UHFFFAOYSA-N
MW352.85 g/mol
LogP6.66
Rot. Bonds4

About benzhydryl-chloro-(2,4,6-trimethylphenyl)phosphane

benzhydryl-chloro-(2,4,6-trimethylphenyl)phosphane (PubChem CID 13256137) has the molecular formula C22H22ClP and a molecular weight of 352.85 g/mol. Its IUPAC name is benzhydryl-chloro-(2,4,6-trimethylphenyl)phosphane.

Molecular Properties

Compound Namebenzhydryl-chloro-(2,4,6-trimethylphenyl)phosphane
PubChem CID13256137
Molecular FormulaC22H22ClP
Molecular Weight352.85 g/mol
Exact Mass352.11
IUPAC Namebenzhydryl-chloro-(2,4,6-trimethylphenyl)phosphane
SMILESCc1cc(C)c(P(Cl)C(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C22H22ClP/c1-16-14-17(2)21(18(3)15-16)24(23)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,22H,1-3H3
InChIKeyBMSQTXZVVNMKSN-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.85
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzhydryl-chloro-(2,6-dimethylphenyl)phosphane
CID 13256139
bis(2,4,6-trimethylphenyl)phosphanyl-phenylmethanol
CID 132512078
benzyl-methyl-(2,4,6-trimethylphenyl)phosphane
CID 59775575
1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane
CID 145412167
benzyl-phenyl-(2,4,6-trimethylphenyl)phosphane
CID 91019854
2-phenyl-2-(2,4,6-trimethylphenyl)acetate
CID 78425392
(S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol
CID 799505
3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
2,4,6-trimethyl-N-(2-phenylpropyl)aniline
CID 55192336
4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
CID 102313835
2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene
CID 22389703
(2,4-dimethylphenyl)-phenylmethanol
CID 3807153

Frequently Asked Questions

What is the IUPAC name of benzhydryl-chloro-(2,4,6-trimethylphenyl)phosphane?
The IUPAC name of benzhydryl-chloro-(2,4,6-trimethylphenyl)phosphane (CID 13256137) is benzhydryl-chloro-(2,4,6-trimethylphenyl)phosphane.
What is the SMILES notation for benzhydryl-chloro-(2,4,6-trimethylphenyl)phosphane?
The canonical SMILES for benzhydryl-chloro-(2,4,6-trimethylphenyl)phosphane is Cc1cc(C)c(P(Cl)C(c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of benzhydryl-chloro-(2,4,6-trimethylphenyl)phosphane?
The InChIKey is BMSQTXZVVNMKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClP/c1-16-14-17(2)21(18(3)15-16)24(23)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,22H,1-3H3.
What are the key properties of benzhydryl-chloro-(2,4,6-trimethylphenyl)phosphane?
benzhydryl-chloro-(2,4,6-trimethylphenyl)phosphane has a molecular weight of 352.85 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-chloro-(2,4,6-trimethylphenyl)phosphane is sourced from PubChem (CID 13256137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).