butoxy-bis(2-chlorophenyl)-dihydroxy-λ5-phosphane

C16H19Cl2O3P — CID 172688453

IUPACbutoxy-bis(2-chlorophenyl)-dihydroxy-λ5-phosphane
SMILESCCCCOP(O)(O)(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C16H19Cl2O3P/c1-2-3-12-21-22(19,20,15-10-6-4-8-13(15)17)16-11-7-5-9-14(16)18/h4-11,19-20H,2-3,12H2,1H3
InChIKeyBITLXKBDOZEREU-UHFFFAOYSA-N
MW361.21 g/mol
LogP4.04
Rot. Bonds6

About butoxy-bis(2-chlorophenyl)-dihydroxy-λ5-phosphane

butoxy-bis(2-chlorophenyl)-dihydroxy-λ5-phosphane (PubChem CID 172688453) has the molecular formula C16H19Cl2O3P and a molecular weight of 361.21 g/mol. Its IUPAC name is butoxy-bis(2-chlorophenyl)-dihydroxy-λ5-phosphane.

Molecular Properties

Compound Namebutoxy-bis(2-chlorophenyl)-dihydroxy-λ5-phosphane
PubChem CID172688453
Molecular FormulaC16H19Cl2O3P
Molecular Weight361.21 g/mol
Exact Mass360.04
IUPAC Namebutoxy-bis(2-chlorophenyl)-dihydroxy-λ5-phosphane
SMILESCCCCOP(O)(O)(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C16H19Cl2O3P/c1-2-3-12-21-22(19,20,15-10-6-4-8-13(15)17)16-11-7-5-9-14(16)18/h4-11,19-20H,2-3,12H2,1H3
InChIKeyBITLXKBDOZEREU-UHFFFAOYSA-N
XLogP4.04
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butoxy-bis(2-chlorophenyl)-dihydroxy-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol
CID 22382209
1-(2-butoxyethyl)-2-chlorobenzene
CID 91693275
bis(2,4-ditert-butylphenyl)-dihydroxy-octoxy-λ5-phosphane
CID 141397811
(2R,3R)-2-(butoxymethyl)-3-(2-chlorophenyl)oxirane
CID 118151847
dihydroxy-octoxy-octyl-phenyl-λ5-phosphane
CID 141124882
ethoxy-hexoxy-hydroxy-diphenyl-λ5-phosphane
CID 57167786
4-butoxy-2-chloronaphthalen-1-ol
CID 121473081
(4-hexoxyphenyl) 2-chlorobenzoate
CID 4230058
N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 113276749
1-(butoxymethyl)-4-(2-chlorophenyl)benzene
CID 3066109
2-butoxy-N-[2-(2-chlorophenoxy)ethyl]aniline
CID 54801671
1-chloronaphthalene;pentane
CID 19360859

Frequently Asked Questions

What is the IUPAC name of butoxy-bis(2-chlorophenyl)-dihydroxy-λ5-phosphane?
The IUPAC name of butoxy-bis(2-chlorophenyl)-dihydroxy-λ5-phosphane (CID 172688453) is butoxy-bis(2-chlorophenyl)-dihydroxy-λ5-phosphane.
What is the SMILES notation for butoxy-bis(2-chlorophenyl)-dihydroxy-λ5-phosphane?
The canonical SMILES for butoxy-bis(2-chlorophenyl)-dihydroxy-λ5-phosphane is CCCCOP(O)(O)(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of butoxy-bis(2-chlorophenyl)-dihydroxy-λ5-phosphane?
The InChIKey is BITLXKBDOZEREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2O3P/c1-2-3-12-21-22(19,20,15-10-6-4-8-13(15)17)16-11-7-5-9-14(16)18/h4-11,19-20H,2-3,12H2,1H3.
What are the key properties of butoxy-bis(2-chlorophenyl)-dihydroxy-λ5-phosphane?
butoxy-bis(2-chlorophenyl)-dihydroxy-λ5-phosphane has a molecular weight of 361.21 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-bis(2-chlorophenyl)-dihydroxy-λ5-phosphane is sourced from PubChem (CID 172688453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).