CID 136819313

C19H25BOP — CID 136819313

IUPAC—
SMILES[B-][P+](C)(CC(O)(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H25BOP/c1-18(2,3)22(4,20)15-19(21,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,21H,15H2,1-4H3
InChIKeyFQMURJOXRGPOAD-UHFFFAOYSA-N
MW311.19 g/mol
LogP4.45
Rot. Bonds4

About CID 136819313

CID 136819313 (PubChem CID 136819313) has the molecular formula C19H25BOP and a molecular weight of 311.19 g/mol.

Molecular Properties

Compound NameCID 136819313
PubChem CID136819313
Molecular FormulaC19H25BOP
Molecular Weight311.19 g/mol
Exact Mass311.17
IUPAC Name—
SMILES[B-][P+](C)(CC(O)(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H25BOP/c1-18(2,3)22(4,20)15-19(21,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,21H,15H2,1-4H3
InChIKeyFQMURJOXRGPOAD-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 136819313 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 134904563
CID 134904563
CID 134904157
CID 134904157
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354
3-methoxy-1,1-diphenylbutan-1-ol
CID 13380056
(3R)-3-(methylamino)-1,1-diphenylbutan-1-ol
CID 129362138
3-methyl-2-phenylpentan-2-ol
CID 13024634
(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one
CID 13299690
3,5-dihydroxy-5,5-diphenylpentanenitrile
CID 102249687
[bis(2-hydroxy-2,2-diphenylethyl)-phenylphosphaniumyl]boranuide
CID 139184653
tert-butylbenzene;3-ethyl-2-methylpentane
CID 177346689
(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078

Frequently Asked Questions

What is the IUPAC name of CID 136819313?
The IUPAC name of CID 136819313 (CID 136819313) is not available.
What is the SMILES notation for CID 136819313?
The canonical SMILES for CID 136819313 is [B-][P+](C)(CC(O)(c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of CID 136819313?
The InChIKey is FQMURJOXRGPOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BOP/c1-18(2,3)22(4,20)15-19(21,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,21H,15H2,1-4H3.
What are the key properties of CID 136819313?
CID 136819313 has a molecular weight of 311.19 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136819313 is sourced from PubChem (CID 136819313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).