bis(2-chloroethyl)-dihydroxy-phenyl-λ5-phosphane

C10H15Cl2O2P — CID 57282353

IUPACbis(2-chloroethyl)-dihydroxy-phenyl-λ5-phosphane
SMILESOP(O)(CCCl)(CCCl)c1ccccc1
InChIInChI=1S/C10H15Cl2O2P/c11-6-8-15(13,14,9-7-12)10-4-2-1-3-5-10/h1-5,13-14H,6-9H2
InChIKeyKYLWDAFZXUZQAB-UHFFFAOYSA-N
MW269.11 g/mol
LogP2.16
Rot. Bonds5

About bis(2-chloroethyl)-dihydroxy-phenyl-λ5-phosphane

bis(2-chloroethyl)-dihydroxy-phenyl-λ5-phosphane (PubChem CID 57282353) has the molecular formula C10H15Cl2O2P and a molecular weight of 269.11 g/mol. Its IUPAC name is bis(2-chloroethyl)-dihydroxy-phenyl-λ5-phosphane.

Molecular Properties

Compound Namebis(2-chloroethyl)-dihydroxy-phenyl-λ5-phosphane
PubChem CID57282353
Molecular FormulaC10H15Cl2O2P
Molecular Weight269.11 g/mol
Exact Mass268.02
IUPAC Namebis(2-chloroethyl)-dihydroxy-phenyl-λ5-phosphane
SMILESOP(O)(CCCl)(CCCl)c1ccccc1
InChIInChI=1S/C10H15Cl2O2P/c11-6-8-15(13,14,9-7-12)10-4-2-1-3-5-10/h1-5,13-14H,6-9H2
InChIKeyKYLWDAFZXUZQAB-UHFFFAOYSA-N
XLogP2.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.11
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-chloroethyl)-dihydroxy-phenyl-λ5-phosphane?
The IUPAC name of bis(2-chloroethyl)-dihydroxy-phenyl-λ5-phosphane (CID 57282353) is bis(2-chloroethyl)-dihydroxy-phenyl-λ5-phosphane.
What is the SMILES notation for bis(2-chloroethyl)-dihydroxy-phenyl-λ5-phosphane?
The canonical SMILES for bis(2-chloroethyl)-dihydroxy-phenyl-λ5-phosphane is OP(O)(CCCl)(CCCl)c1ccccc1.
What is the InChIKey of bis(2-chloroethyl)-dihydroxy-phenyl-λ5-phosphane?
The InChIKey is KYLWDAFZXUZQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2O2P/c11-6-8-15(13,14,9-7-12)10-4-2-1-3-5-10/h1-5,13-14H,6-9H2.
What are the key properties of bis(2-chloroethyl)-dihydroxy-phenyl-λ5-phosphane?
bis(2-chloroethyl)-dihydroxy-phenyl-λ5-phosphane has a molecular weight of 269.11 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloroethyl)-dihydroxy-phenyl-λ5-phosphane is sourced from PubChem (CID 57282353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).