4-diphenylphosphanylbutan-1-ol

C16H19OP — CID 12643179

IUPAC4-diphenylphosphanylbutan-1-ol
SMILESOCCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19OP/c17-13-7-8-14-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2
InChIKeyCUWXSUUZRCXWHQ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.89
Rot. Bonds6

About 4-diphenylphosphanylbutan-1-ol

4-diphenylphosphanylbutan-1-ol (PubChem CID 12643179) has the molecular formula C16H19OP and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-diphenylphosphanylbutan-1-ol.

Molecular Properties

Compound Name4-diphenylphosphanylbutan-1-ol
PubChem CID12643179
Molecular FormulaC16H19OP
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name4-diphenylphosphanylbutan-1-ol
SMILESOCCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19OP/c17-13-7-8-14-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2
InChIKeyCUWXSUUZRCXWHQ-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphanylbutan-1-ol?
The IUPAC name of 4-diphenylphosphanylbutan-1-ol (CID 12643179) is 4-diphenylphosphanylbutan-1-ol.
What is the SMILES notation for 4-diphenylphosphanylbutan-1-ol?
The canonical SMILES for 4-diphenylphosphanylbutan-1-ol is OCCCCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-diphenylphosphanylbutan-1-ol?
The InChIKey is CUWXSUUZRCXWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19OP/c17-13-7-8-14-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2.
What are the key properties of 4-diphenylphosphanylbutan-1-ol?
4-diphenylphosphanylbutan-1-ol has a molecular weight of 258.30 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphanylbutan-1-ol is sourced from PubChem (CID 12643179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).