[3-amino-2-(4-chlorophenyl)butyl]-dihydroxy-(2-oxopropyl)phosphanium

C13H20ClNO3P+ — CID 57257042

IUPAC[3-amino-2-(4-chlorophenyl)butyl]-dihydroxy-(2-oxopropyl)phosphanium
SMILESCC(=O)C[P+](O)(O)CC(c1ccc(Cl)cc1)C(C)N
InChIInChI=1S/C13H20ClNO3P/c1-9(16)7-19(17,18)8-13(10(2)15)11-3-5-12(14)6-4-11/h3-6,10,13,17-18H,7-8,15H2,1-2H3/q+1
InChIKeyCJLKHVZZDFNXQT-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.19
Rot. Bonds6

About [3-amino-2-(4-chlorophenyl)butyl]-dihydroxy-(2-oxopropyl)phosphanium

[3-amino-2-(4-chlorophenyl)butyl]-dihydroxy-(2-oxopropyl)phosphanium (PubChem CID 57257042) has the molecular formula C13H20ClNO3P+ and a molecular weight of 304.73 g/mol. Its IUPAC name is [3-amino-2-(4-chlorophenyl)butyl]-dihydroxy-(2-oxopropyl)phosphanium.

Molecular Properties

Compound Name[3-amino-2-(4-chlorophenyl)butyl]-dihydroxy-(2-oxopropyl)phosphanium
PubChem CID57257042
Molecular FormulaC13H20ClNO3P+
Molecular Weight304.73 g/mol
Exact Mass304.09
IUPAC Name[3-amino-2-(4-chlorophenyl)butyl]-dihydroxy-(2-oxopropyl)phosphanium
SMILESCC(=O)C[P+](O)(O)CC(c1ccc(Cl)cc1)C(C)N
InChIInChI=1S/C13H20ClNO3P/c1-9(16)7-19(17,18)8-13(10(2)15)11-3-5-12(14)6-4-11/h3-6,10,13,17-18H,7-8,15H2,1-2H3/q+1
InChIKeyCJLKHVZZDFNXQT-UHFFFAOYSA-N
XLogP2.19
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-4-(4-chlorophenyl)butan-2-one
CID 69177509
(2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 70537702
4-amino-3-(4-chlorophenyl)hexanoic acid
CID 66099214
1-(4-chlorophenyl)ethanol;1-(4-chlorophenyl)ethanone
CID 159128933
3-[1-(4-chlorophenyl)ethyl]pentane-2,4-dione
CID 11557749
3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine
CID 19073696
3-(4-chlorophenyl)butan-2-one
CID 21269944
acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 71336866
(3S)-3-(4-chlorophenyl)butan-2-one
CID 94841773
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173
(2R)-2-(4-chlorophenyl)-2-hydroxyacetamide
CID 69300221
(3R)-3-(4-chlorophenyl)butan-2-one
CID 90139633

Frequently Asked Questions

What is the IUPAC name of [3-amino-2-(4-chlorophenyl)butyl]-dihydroxy-(2-oxopropyl)phosphanium?
The IUPAC name of [3-amino-2-(4-chlorophenyl)butyl]-dihydroxy-(2-oxopropyl)phosphanium (CID 57257042) is [3-amino-2-(4-chlorophenyl)butyl]-dihydroxy-(2-oxopropyl)phosphanium.
What is the SMILES notation for [3-amino-2-(4-chlorophenyl)butyl]-dihydroxy-(2-oxopropyl)phosphanium?
The canonical SMILES for [3-amino-2-(4-chlorophenyl)butyl]-dihydroxy-(2-oxopropyl)phosphanium is CC(=O)C[P+](O)(O)CC(c1ccc(Cl)cc1)C(C)N.
What is the InChIKey of [3-amino-2-(4-chlorophenyl)butyl]-dihydroxy-(2-oxopropyl)phosphanium?
The InChIKey is CJLKHVZZDFNXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3P/c1-9(16)7-19(17,18)8-13(10(2)15)11-3-5-12(14)6-4-11/h3-6,10,13,17-18H,7-8,15H2,1-2H3/q+1.
What are the key properties of [3-amino-2-(4-chlorophenyl)butyl]-dihydroxy-(2-oxopropyl)phosphanium?
[3-amino-2-(4-chlorophenyl)butyl]-dihydroxy-(2-oxopropyl)phosphanium has a molecular weight of 304.73 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-2-(4-chlorophenyl)butyl]-dihydroxy-(2-oxopropyl)phosphanium is sourced from PubChem (CID 57257042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).