2-(3-chlorophenoxy)ethyl-(3-methylbutyl)phosphane

C13H20ClOP — CID 143267856

IUPAC2-(3-chlorophenoxy)ethyl-(3-methylbutyl)phosphane
SMILESCC(C)CCPCCOc1cccc(Cl)c1
InChIInChI=1S/C13H20ClOP/c1-11(2)6-8-16-9-7-15-13-5-3-4-12(14)10-13/h3-5,10-11,16H,6-9H2,1-2H3
InChIKeyDALYGJMRLJIFNL-UHFFFAOYSA-N
MW258.73 g/mol
LogP4.44
Rot. Bonds7

About 2-(3-chlorophenoxy)ethyl-(3-methylbutyl)phosphane

2-(3-chlorophenoxy)ethyl-(3-methylbutyl)phosphane (PubChem CID 143267856) has the molecular formula C13H20ClOP and a molecular weight of 258.73 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)ethyl-(3-methylbutyl)phosphane.

Molecular Properties

Compound Name2-(3-chlorophenoxy)ethyl-(3-methylbutyl)phosphane
PubChem CID143267856
Molecular FormulaC13H20ClOP
Molecular Weight258.73 g/mol
Exact Mass258.09
IUPAC Name2-(3-chlorophenoxy)ethyl-(3-methylbutyl)phosphane
SMILESCC(C)CCPCCOc1cccc(Cl)c1
InChIInChI=1S/C13H20ClOP/c1-11(2)6-8-16-9-7-15-13-5-3-4-12(14)10-13/h3-5,10-11,16H,6-9H2,1-2H3
InChIKeyDALYGJMRLJIFNL-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(2-propan-2-yloxyethoxy)benzene
CID 60643608
1-(3-chlorophenoxy)-5-methylhexan-2-amine
CID 105126678
2-amino-4-(3-chlorophenoxy)butanamide
CID 174561608
1-(chloromethyl)-3-(3-methylbutoxy)benzene
CID 28530201
1-amino-5-(3-chlorophenoxy)pentan-3-ol
CID 112508122
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
ethane;1-(3-methylbutoxy)-3-propoxybenzene
CID 170603501
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
2-[3-(3-methylbutoxy)phenoxy]ethanamine
CID 25256004
3-(3-chlorophenoxy)propan-1-amine;ethane
CID 156874591
(2S)-2-[2-(3-chlorophenoxy)ethoxy]propanoic acid
CID 104876454
1-chloro-3-(5-chloropentoxy)benzene
CID 43348402

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)ethyl-(3-methylbutyl)phosphane?
The IUPAC name of 2-(3-chlorophenoxy)ethyl-(3-methylbutyl)phosphane (CID 143267856) is 2-(3-chlorophenoxy)ethyl-(3-methylbutyl)phosphane.
What is the SMILES notation for 2-(3-chlorophenoxy)ethyl-(3-methylbutyl)phosphane?
The canonical SMILES for 2-(3-chlorophenoxy)ethyl-(3-methylbutyl)phosphane is CC(C)CCPCCOc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)ethyl-(3-methylbutyl)phosphane?
The InChIKey is DALYGJMRLJIFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClOP/c1-11(2)6-8-16-9-7-15-13-5-3-4-12(14)10-13/h3-5,10-11,16H,6-9H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)ethyl-(3-methylbutyl)phosphane?
2-(3-chlorophenoxy)ethyl-(3-methylbutyl)phosphane has a molecular weight of 258.73 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)ethyl-(3-methylbutyl)phosphane is sourced from PubChem (CID 143267856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).