1-[1-(3-phosphanylphenyl)cyclohexyl]ethanone

C14H19OP — CID 144754940

IUPAC1-[1-(3-phosphanylphenyl)cyclohexyl]ethanone
SMILESCC(=O)C1(c2cccc(P)c2)CCCCC1
InChIInChI=1S/C14H19OP/c1-11(15)14(8-3-2-4-9-14)12-6-5-7-13(16)10-12/h5-7,10H,2-4,8-9,16H2,1H3
InChIKeyJKTQDJYGVNULKI-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.98
Rot. Bonds2

About 1-[1-(3-phosphanylphenyl)cyclohexyl]ethanone

1-[1-(3-phosphanylphenyl)cyclohexyl]ethanone (PubChem CID 144754940) has the molecular formula C14H19OP and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-[1-(3-phosphanylphenyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[1-(3-phosphanylphenyl)cyclohexyl]ethanone
PubChem CID144754940
Molecular FormulaC14H19OP
Molecular Weight234.28 g/mol
Exact Mass234.12
IUPAC Name1-[1-(3-phosphanylphenyl)cyclohexyl]ethanone
SMILESCC(=O)C1(c2cccc(P)c2)CCCCC1
InChIInChI=1S/C14H19OP/c1-11(15)14(8-3-2-4-9-14)12-6-5-7-13(16)10-12/h5-7,10H,2-4,8-9,16H2,1H3
InChIKeyJKTQDJYGVNULKI-UHFFFAOYSA-N
XLogP2.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]phosphane
CID 88999598
1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone
CID 82297467
1-[1-(4-bromo-3-fluorophenyl)cyclopentyl]ethanone
CID 117046363
1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone
CID 117046703
1-[1-(2,3-dihydro-1H-inden-5-yl)cyclopropyl]ethanone
CID 83686495
1-[1-(4-ethylphenyl)cyclopentyl]ethanone
CID 82284998
1-[1-(3-chlorophenyl)cyclobutyl]propane-1,2-dione
CID 122222520
1-(3-iodophenyl)cyclopentane-1-carboxylic acid
CID 117047003
1-(3-cyanophenyl)cyclohexane-1-carboxylic acid
CID 117330593
1-(3-chlorophenyl)cyclopentane-1-carboxylate
CID 26365664
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone
CID 39975229

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-phosphanylphenyl)cyclohexyl]ethanone?
The IUPAC name of 1-[1-(3-phosphanylphenyl)cyclohexyl]ethanone (CID 144754940) is 1-[1-(3-phosphanylphenyl)cyclohexyl]ethanone.
What is the SMILES notation for 1-[1-(3-phosphanylphenyl)cyclohexyl]ethanone?
The canonical SMILES for 1-[1-(3-phosphanylphenyl)cyclohexyl]ethanone is CC(=O)C1(c2cccc(P)c2)CCCCC1.
What is the InChIKey of 1-[1-(3-phosphanylphenyl)cyclohexyl]ethanone?
The InChIKey is JKTQDJYGVNULKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19OP/c1-11(15)14(8-3-2-4-9-14)12-6-5-7-13(16)10-12/h5-7,10H,2-4,8-9,16H2,1H3.
What are the key properties of 1-[1-(3-phosphanylphenyl)cyclohexyl]ethanone?
1-[1-(3-phosphanylphenyl)cyclohexyl]ethanone has a molecular weight of 234.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-phosphanylphenyl)cyclohexyl]ethanone is sourced from PubChem (CID 144754940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).