CID 25267924

C22H21BO2P — CID 25267924

IUPAC—
SMILESO=C(OCCCP(c1ccccc1)c1ccccc1)c1ccccc1.[B]
InChIInChI=1S/C22H21O2P.B/c23-22(19-11-4-1-5-12-19)24-17-10-18-25(20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;
InChIKeyJUSOGZWBNFPTRY-UHFFFAOYSA-N
MW359.19 g/mol
LogP3.99
Rot. Bonds7

About CID 25267924

CID 25267924 (PubChem CID 25267924) has the molecular formula C22H21BO2P and a molecular weight of 359.19 g/mol.

Molecular Properties

Compound NameCID 25267924
PubChem CID25267924
Molecular FormulaC22H21BO2P
Molecular Weight359.19 g/mol
Exact Mass359.14
IUPAC Name—
SMILESO=C(OCCCP(c1ccccc1)c1ccccc1)c1ccccc1.[B]
InChIInChI=1S/C22H21O2P.B/c23-22(19-11-4-1-5-12-19)24-17-10-18-25(20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;
InChIKeyJUSOGZWBNFPTRY-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 25267924?
The IUPAC name of CID 25267924 (CID 25267924) is not available.
What is the SMILES notation for CID 25267924?
The canonical SMILES for CID 25267924 is O=C(OCCCP(c1ccccc1)c1ccccc1)c1ccccc1.[B].
What is the InChIKey of CID 25267924?
The InChIKey is JUSOGZWBNFPTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21O2P.B/c23-22(19-11-4-1-5-12-19)24-17-10-18-25(20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;.
What are the key properties of CID 25267924?
CID 25267924 has a molecular weight of 359.19 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 25267924 is sourced from PubChem (CID 25267924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).