chloro-phenyl-(2-propan-2-ylphenoxy)phosphane

C15H16ClOP — CID 20820446

IUPACchloro-phenyl-(2-propan-2-ylphenoxy)phosphane
SMILESCC(C)c1ccccc1OP(Cl)c1ccccc1
InChIInChI=1S/C15H16ClOP/c1-12(2)14-10-6-7-11-15(14)17-18(16)13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyZVAVTJFFXFDGGH-UHFFFAOYSA-N
MW278.72 g/mol
LogP5.07
Rot. Bonds4

About chloro-phenyl-(2-propan-2-ylphenoxy)phosphane

chloro-phenyl-(2-propan-2-ylphenoxy)phosphane (PubChem CID 20820446) has the molecular formula C15H16ClOP and a molecular weight of 278.72 g/mol. Its IUPAC name is chloro-phenyl-(2-propan-2-ylphenoxy)phosphane.

Molecular Properties

Compound Namechloro-phenyl-(2-propan-2-ylphenoxy)phosphane
PubChem CID20820446
Molecular FormulaC15H16ClOP
Molecular Weight278.72 g/mol
Exact Mass278.06
IUPAC Namechloro-phenyl-(2-propan-2-ylphenoxy)phosphane
SMILESCC(C)c1ccccc1OP(Cl)c1ccccc1
InChIInChI=1S/C15H16ClOP/c1-12(2)14-10-6-7-11-15(14)17-18(16)13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyZVAVTJFFXFDGGH-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.72
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
[2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite
CID 142925487
(2R)-1-(2-propan-2-ylphenoxy)propan-2-amine
CID 30814005
CID 174063143
CID 174063143
1-diphenylphosphoryloxy-2-propan-2-ylbenzene
CID 118862439
chloro-(2,6-ditert-butylphenoxy)-phenylphosphane
CID 54014120
chloro-phenyl-propan-2-ylphosphane
CID 10867074
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
1-[[bis(2-propan-2-ylphenoxy)amino]phosphanyl-(2-propan-2-ylphenoxy)amino]oxy-2-propan-2-ylbenzene
CID 139330543
1-propan-2-yl-2-prop-1-en-2-yloxybenzene
CID 22935766

Frequently Asked Questions

What is the IUPAC name of chloro-phenyl-(2-propan-2-ylphenoxy)phosphane?
The IUPAC name of chloro-phenyl-(2-propan-2-ylphenoxy)phosphane (CID 20820446) is chloro-phenyl-(2-propan-2-ylphenoxy)phosphane.
What is the SMILES notation for chloro-phenyl-(2-propan-2-ylphenoxy)phosphane?
The canonical SMILES for chloro-phenyl-(2-propan-2-ylphenoxy)phosphane is CC(C)c1ccccc1OP(Cl)c1ccccc1.
What is the InChIKey of chloro-phenyl-(2-propan-2-ylphenoxy)phosphane?
The InChIKey is ZVAVTJFFXFDGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClOP/c1-12(2)14-10-6-7-11-15(14)17-18(16)13-8-4-3-5-9-13/h3-12H,1-2H3.
What are the key properties of chloro-phenyl-(2-propan-2-ylphenoxy)phosphane?
chloro-phenyl-(2-propan-2-ylphenoxy)phosphane has a molecular weight of 278.72 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-phenyl-(2-propan-2-ylphenoxy)phosphane is sourced from PubChem (CID 20820446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).