CID 25267224

C18H21BOP — CID 25267224

IUPAC—
SMILESC=CC[C@H](CO)CP(c1ccccc1)c1ccccc1.[B]
InChIInChI=1S/C18H21OP.B/c1-2-9-16(14-19)15-20(17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h2-8,10-13,16,19H,1,9,14-15H2;/t16-;/m1./s1
InChIKeyHQEPIVISQWBTOL-PKLMIRHRSA-N
MW295.15 g/mol
LogP2.92
Rot. Bonds7

About CID 25267224

CID 25267224 (PubChem CID 25267224) has the molecular formula C18H21BOP and a molecular weight of 295.15 g/mol.

Molecular Properties

Compound NameCID 25267224
PubChem CID25267224
Molecular FormulaC18H21BOP
Molecular Weight295.15 g/mol
Exact Mass295.14
IUPAC Name—
SMILESC=CC[C@H](CO)CP(c1ccccc1)c1ccccc1.[B]
InChIInChI=1S/C18H21OP.B/c1-2-9-16(14-19)15-20(17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h2-8,10-13,16,19H,1,9,14-15H2;/t16-;/m1./s1
InChIKeyHQEPIVISQWBTOL-PKLMIRHRSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 14895210
(2R)-2,3-bis(diphenylphosphanyl)propan-1-ol
CID 12914091
(2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol
CID 102403190
benzyl (3R)-3-(hydroxymethyl)hex-5-enoate
CID 58474144
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol
CID 160880353
(2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol
CID 45033911
(2S)-2-phenylselanylpent-4-en-1-ol
CID 23635680
3-diphenylphosphanylprop-1-en-2-ol
CID 58420868
(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-amine
CID 10731871
(3R)-3-phenylhex-5-en-1-ol
CID 10419714

Frequently Asked Questions

What is the IUPAC name of CID 25267224?
The IUPAC name of CID 25267224 (CID 25267224) is not available.
What is the SMILES notation for CID 25267224?
The canonical SMILES for CID 25267224 is C=CC[C@H](CO)CP(c1ccccc1)c1ccccc1.[B].
What is the InChIKey of CID 25267224?
The InChIKey is HQEPIVISQWBTOL-PKLMIRHRSA-N. The full InChI is InChI=1S/C18H21OP.B/c1-2-9-16(14-19)15-20(17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h2-8,10-13,16,19H,1,9,14-15H2;/t16-;/m1./s1.
What are the key properties of CID 25267224?
CID 25267224 has a molecular weight of 295.15 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 25267224 is sourced from PubChem (CID 25267224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).