1-phenylheptylphosphane

C13H21P — CID 174874892

IUPAC1-phenylheptylphosphane
SMILESCCCCCCC(P)c1ccccc1
InChIInChI=1S/C13H21P/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10,13H,2-4,8,11,14H2,1H3
InChIKeyYRCMFOLXLUBTOS-UHFFFAOYSA-N
MW208.29 g/mol
LogP4.57
Rot. Bonds6

About 1-phenylheptylphosphane

1-phenylheptylphosphane (PubChem CID 174874892) has the molecular formula C13H21P and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-phenylheptylphosphane.

Molecular Properties

Compound Name1-phenylheptylphosphane
PubChem CID174874892
Molecular FormulaC13H21P
Molecular Weight208.29 g/mol
Exact Mass208.14
IUPAC Name1-phenylheptylphosphane
SMILESCCCCCCC(P)c1ccccc1
InChIInChI=1S/C13H21P/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10,13H,2-4,8,11,14H2,1H3
InChIKeyYRCMFOLXLUBTOS-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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1-ethoxydecylbenzene
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N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
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CID 175415236
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CID 43175860
N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide
CID 173082134
N-ethyl-N-methylethanamine;1-phenylheptylbenzene
CID 18402602
N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride
CID 173276058
1-dodecoxyhexylbenzene
CID 174774790
3-phenylundecan-1-ol
CID 101150144

Frequently Asked Questions

What is the IUPAC name of 1-phenylheptylphosphane?
The IUPAC name of 1-phenylheptylphosphane (CID 174874892) is 1-phenylheptylphosphane.
What is the SMILES notation for 1-phenylheptylphosphane?
The canonical SMILES for 1-phenylheptylphosphane is CCCCCCC(P)c1ccccc1.
What is the InChIKey of 1-phenylheptylphosphane?
The InChIKey is YRCMFOLXLUBTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21P/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10,13H,2-4,8,11,14H2,1H3.
What are the key properties of 1-phenylheptylphosphane?
1-phenylheptylphosphane has a molecular weight of 208.29 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylheptylphosphane is sourced from PubChem (CID 174874892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).