CID 174286143

C21H21BO3P+ — CID 174286143

IUPAC—
SMILES[B][P+](Oc1ccccc1C)(Oc1ccccc1C)Oc1ccccc1C
InChIInChI=1S/C21H21BO3P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3/q+1
InChIKeyFHAXGTPBWHFGLL-UHFFFAOYSA-N
MW363.18 g/mol
LogP5.99
Rot. Bonds6

About CID 174286143

CID 174286143 (PubChem CID 174286143) has the molecular formula C21H21BO3P+ and a molecular weight of 363.18 g/mol.

Molecular Properties

Compound NameCID 174286143
PubChem CID174286143
Molecular FormulaC21H21BO3P+
Molecular Weight363.18 g/mol
Exact Mass363.13
IUPAC Name—
SMILES[B][P+](Oc1ccccc1C)(Oc1ccccc1C)Oc1ccccc1C
InChIInChI=1S/C21H21BO3P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3/q+1
InChIKeyFHAXGTPBWHFGLL-UHFFFAOYSA-N
XLogP5.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.18
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tris(2-methylphenoxy)-(4-methylphenyl)phosphanium
CID 174390321
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CID 90755051
1-methyl-2-propan-2-yloxybenzene;trichlororuthenium
CID 175208112
2,2-bis(2-methylphenoxy)ethylphosphane
CID 175048136
(2S,3S)-2,3-bis(2-methylphenoxy)butanedioic acid
CID 69402969
1-methyl-2-(1,2,2,2-tetrafluoroethoxy)benzene
CID 57121963
1-methyl-2-[(E,2R)-pent-3-en-2-yl]oxybenzene
CID 125475972
tris(2-methylphenyl) phosphite dichloride
CID 23333528
tris(1-methoxy-2-methylbenzene);propane
CID 158759517
1-(2-methylphenoxy)butylphosphane
CID 175049476
(2S)-2-(2-methylphenoxy)propanoate
CID 6957172

Frequently Asked Questions

What is the IUPAC name of CID 174286143?
The IUPAC name of CID 174286143 (CID 174286143) is not available.
What is the SMILES notation for CID 174286143?
The canonical SMILES for CID 174286143 is [B][P+](Oc1ccccc1C)(Oc1ccccc1C)Oc1ccccc1C.
What is the InChIKey of CID 174286143?
The InChIKey is FHAXGTPBWHFGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BO3P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3/q+1.
What are the key properties of CID 174286143?
CID 174286143 has a molecular weight of 363.18 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174286143 is sourced from PubChem (CID 174286143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).