CID 11999490

C16H17BO2P — CID 11999490

IUPAC—
SMILESCOC(=O)CCP(c1ccccc1)c1ccccc1.[B]
InChIInChI=1S/C16H17O2P.B/c1-18-16(17)12-13-19(14-8-4-2-5-9-14)15-10-6-3-7-11-15;/h2-11H,12-13H2,1H3;
InChIKeyYMSJRVUJVSZYKH-UHFFFAOYSA-N
MW283.10 g/mol
LogP2.30
Rot. Bonds5

About CID 11999490

CID 11999490 (PubChem CID 11999490) has the molecular formula C16H17BO2P and a molecular weight of 283.10 g/mol.

Molecular Properties

Compound NameCID 11999490
PubChem CID11999490
Molecular FormulaC16H17BO2P
Molecular Weight283.10 g/mol
Exact Mass283.11
IUPAC Name—
SMILESCOC(=O)CCP(c1ccccc1)c1ccccc1.[B]
InChIInChI=1S/C16H17O2P.B/c1-18-16(17)12-13-19(14-8-4-2-5-9-14)15-10-6-3-7-11-15;/h2-11H,12-13H2,1H3;
InChIKeyYMSJRVUJVSZYKH-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(5-methoxy-5-oxopentyl)-triphenylphosphanium
CID 3630851
(4-methoxy-4-oxobutyl)-triphenylphosphanium
CID 11015715
3-diphenylphosphanylpropyl acetate
CID 57133096
(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
CID 10508386
acetylene;methoxymethane;methyl 3-phenylpropanoate
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Frequently Asked Questions

What is the IUPAC name of CID 11999490?
The IUPAC name of CID 11999490 (CID 11999490) is not available.
What is the SMILES notation for CID 11999490?
The canonical SMILES for CID 11999490 is COC(=O)CCP(c1ccccc1)c1ccccc1.[B].
What is the InChIKey of CID 11999490?
The InChIKey is YMSJRVUJVSZYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O2P.B/c1-18-16(17)12-13-19(14-8-4-2-5-9-14)15-10-6-3-7-11-15;/h2-11H,12-13H2,1H3;.
What are the key properties of CID 11999490?
CID 11999490 has a molecular weight of 283.10 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11999490 is sourced from PubChem (CID 11999490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).