(4-chlorophenyl) 2-phosphanyloctanoate

C14H20ClO2P — CID 174681070

IUPAC(4-chlorophenyl) 2-phosphanyloctanoate
SMILESCCCCCCC(P)C(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClO2P/c1-2-3-4-5-6-13(18)14(16)17-12-9-7-11(15)8-10-12/h7-10,13H,2-6,18H2,1H3
InChIKeyDWUOSTRDFQEDOX-UHFFFAOYSA-N
MW286.74 g/mol
LogP4.46
Rot. Bonds7

About (4-chlorophenyl) 2-phosphanyloctanoate

(4-chlorophenyl) 2-phosphanyloctanoate (PubChem CID 174681070) has the molecular formula C14H20ClO2P and a molecular weight of 286.74 g/mol. Its IUPAC name is (4-chlorophenyl) 2-phosphanyloctanoate.

Molecular Properties

Compound Name(4-chlorophenyl) 2-phosphanyloctanoate
PubChem CID174681070
Molecular FormulaC14H20ClO2P
Molecular Weight286.74 g/mol
Exact Mass286.09
IUPAC Name(4-chlorophenyl) 2-phosphanyloctanoate
SMILESCCCCCCC(P)C(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClO2P/c1-2-3-4-5-6-13(18)14(16)17-12-9-7-11(15)8-10-12/h7-10,13H,2-6,18H2,1H3
InChIKeyDWUOSTRDFQEDOX-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-O-(4-chlorophenyl) 1-O-heptadecyl oxalate
CID 6422740
(4-carbamoylphenyl) 2-methyloctanoate
CID 175295976
4-O-(4-chlorophenyl) 1-O-hexyl (E)-but-2-enedioate
CID 91728029
4-(2-methyldecanoyloxy)benzoic acid
CID 19889091
(4-chlorophenyl) N-heptyl-N-hydroxycarbamate
CID 10731898
10-O-(4-chlorophenyl) 1-O-pentyl decanedioate
CID 91729238
7-O-(4-chlorophenyl) 1-O-heptyl heptanedioate
CID 91712617
(4-chlorophenyl) pentanoate
CID 532709
(4-hydroxyphenyl) 2-ethyltetradecanoate
CID 57022734
4-O-(4-chlorophenyl) 1-O-pentyl (E)-but-2-enedioate
CID 91725256
3-O-(4-chlorophenyl) 1-O-nonyl benzene-1,3-dicarboxylate
CID 91740431
1-O-(4-chlorophenyl) 3-O-hexyl 2,2-dimethylpropanedioate
CID 91694009

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 2-phosphanyloctanoate?
The IUPAC name of (4-chlorophenyl) 2-phosphanyloctanoate (CID 174681070) is (4-chlorophenyl) 2-phosphanyloctanoate.
What is the SMILES notation for (4-chlorophenyl) 2-phosphanyloctanoate?
The canonical SMILES for (4-chlorophenyl) 2-phosphanyloctanoate is CCCCCCC(P)C(=O)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) 2-phosphanyloctanoate?
The InChIKey is DWUOSTRDFQEDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClO2P/c1-2-3-4-5-6-13(18)14(16)17-12-9-7-11(15)8-10-12/h7-10,13H,2-6,18H2,1H3.
What are the key properties of (4-chlorophenyl) 2-phosphanyloctanoate?
(4-chlorophenyl) 2-phosphanyloctanoate has a molecular weight of 286.74 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 2-phosphanyloctanoate is sourced from PubChem (CID 174681070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).