benzoic acid;tetradecylphosphane

C21H37O2P — CID 175118977

IUPACbenzoic acid;tetradecylphosphane
SMILESCCCCCCCCCCCCCCP.O=C(O)c1ccccc1
InChIInChI=1S/C14H31P.C7H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;8-7(9)6-4-2-1-3-5-6/h2-15H2,1H3;1-5H,(H,8,9)
InChIKeyKODRHVOPPKSSRS-UHFFFAOYSA-N
MW352.50 g/mol
LogP6.95
Rot. Bonds13

About benzoic acid;tetradecylphosphane

benzoic acid;tetradecylphosphane (PubChem CID 175118977) has the molecular formula C21H37O2P and a molecular weight of 352.50 g/mol. Its IUPAC name is benzoic acid;tetradecylphosphane.

Molecular Properties

Compound Namebenzoic acid;tetradecylphosphane
PubChem CID175118977
Molecular FormulaC21H37O2P
Molecular Weight352.50 g/mol
Exact Mass352.25
IUPAC Namebenzoic acid;tetradecylphosphane
SMILESCCCCCCCCCCCCCCP.O=C(O)c1ccccc1
InChIInChI=1S/C14H31P.C7H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;8-7(9)6-4-2-1-3-5-6/h2-15H2,1H3;1-5H,(H,8,9)
InChIKeyKODRHVOPPKSSRS-UHFFFAOYSA-N
XLogP6.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 56.95
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;tetradecylphosphane?
The IUPAC name of benzoic acid;tetradecylphosphane (CID 175118977) is benzoic acid;tetradecylphosphane.
What is the SMILES notation for benzoic acid;tetradecylphosphane?
The canonical SMILES for benzoic acid;tetradecylphosphane is CCCCCCCCCCCCCCP.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;tetradecylphosphane?
The InChIKey is KODRHVOPPKSSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31P.C7H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;8-7(9)6-4-2-1-3-5-6/h2-15H2,1H3;1-5H,(H,8,9).
What are the key properties of benzoic acid;tetradecylphosphane?
benzoic acid;tetradecylphosphane has a molecular weight of 352.50 g/mol, XLogP of 6.95, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;tetradecylphosphane is sourced from PubChem (CID 175118977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).