CID 134904157

C22H23BO2P — CID 134904157

IUPAC—
SMILES[B-][P+](C)(CC(O)(c1ccccc1)c1ccccc1)c1ccccc1OC
InChIInChI=1S/C22H23BO2P/c1-25-20-15-9-10-16-21(20)26(2,23)17-22(24,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,24H,17H2,1-2H3
InChIKeyWYIOXNXMMRBXAL-UHFFFAOYSA-N
MW361.21 g/mol
LogP3.99
Rot. Bonds6

About CID 134904157

CID 134904157 (PubChem CID 134904157) has the molecular formula C22H23BO2P and a molecular weight of 361.21 g/mol.

Molecular Properties

Compound NameCID 134904157
PubChem CID134904157
Molecular FormulaC22H23BO2P
Molecular Weight361.21 g/mol
Exact Mass361.15
IUPAC Name—
SMILES[B-][P+](C)(CC(O)(c1ccccc1)c1ccccc1)c1ccccc1OC
InChIInChI=1S/C22H23BO2P/c1-25-20-15-9-10-16-21(20)26(2,23)17-22(24,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,24H,17H2,1-2H3
InChIKeyWYIOXNXMMRBXAL-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 53.99
H-Bond Donors ≤ 51
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

CID 136819313
CID 136819313
CID 134904563
CID 134904563
3-methoxy-1,1-diphenylbutan-1-ol
CID 13380056
2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol
CID 116809834
1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol
CID 103465566
2-methoxy-1-(2-methoxyphenyl)-1-phenylethanol
CID 103465436
bis(2-methoxyphenyl)-dimethylphosphanium
CID 102310602
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81389941
(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
hydroxy-tris(2-methoxyphenyl)phosphanium
CID 87283102
(2-methoxyphenyl)-triphenylphosphanium bromide
CID 18355982
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354

Frequently Asked Questions

What is the IUPAC name of CID 134904157?
The IUPAC name of CID 134904157 (CID 134904157) is not available.
What is the SMILES notation for CID 134904157?
The canonical SMILES for CID 134904157 is [B-][P+](C)(CC(O)(c1ccccc1)c1ccccc1)c1ccccc1OC.
What is the InChIKey of CID 134904157?
The InChIKey is WYIOXNXMMRBXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BO2P/c1-25-20-15-9-10-16-21(20)26(2,23)17-22(24,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,24H,17H2,1-2H3.
What are the key properties of CID 134904157?
CID 134904157 has a molecular weight of 361.21 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134904157 is sourced from PubChem (CID 134904157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).