chloro-cyclohexa-1,5-dien-1-yl-phenylphosphane;ethane

C14H18ClP — CID 143889847

IUPACchloro-cyclohexa-1,5-dien-1-yl-phenylphosphane;ethane
SMILESCC.ClP(C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C12H12ClP.C2H6/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2/h1,3-5,7-10H,2,6H2;1-2H3
InChIKeyNIBZADJQGBINRF-UHFFFAOYSA-N
MW252.73 g/mol
LogP5.21
Rot. Bonds2

About chloro-cyclohexa-1,5-dien-1-yl-phenylphosphane;ethane

chloro-cyclohexa-1,5-dien-1-yl-phenylphosphane;ethane (PubChem CID 143889847) has the molecular formula C14H18ClP and a molecular weight of 252.73 g/mol. Its IUPAC name is chloro-cyclohexa-1,5-dien-1-yl-phenylphosphane;ethane.

Molecular Properties

Compound Namechloro-cyclohexa-1,5-dien-1-yl-phenylphosphane;ethane
PubChem CID143889847
Molecular FormulaC14H18ClP
Molecular Weight252.73 g/mol
Exact Mass252.08
IUPAC Namechloro-cyclohexa-1,5-dien-1-yl-phenylphosphane;ethane
SMILESCC.ClP(C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C12H12ClP.C2H6/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2/h1,3-5,7-10H,2,6H2;1-2H3
InChIKeyNIBZADJQGBINRF-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.73
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4-bromophenyl)-cyclohexa-1,5-dien-1-yl-phenylphosphane
CID 166796367
3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol
CID 170752667
benzene;3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]propan-1-ol
CID 170752666
N'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N'-diphenylphosphanyl-N,N-dimethylpropane-1,3-diamine
CID 163974789
cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-phenylphosphane
CID 123441058
cyclohexa-1,5-dien-1-ylmethylbenzene;ethane
CID 143782404
cyclopenta-1,4-dien-1-yl(diphenyl)phosphane
CID 3524393
N'-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)methanediamine
CID 129291277
2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane
CID 143424026
3-[cyclohexa-1,5-dien-1-yl(phenyl)phosphanyl]-4-methoxycarbonylcyclohexa-1,3-diene-1-carboxylic acid
CID 70870712
cyclohexa-1,5-dien-1-yl-phenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphane
CID 167215874
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104

Frequently Asked Questions

What is the IUPAC name of chloro-cyclohexa-1,5-dien-1-yl-phenylphosphane;ethane?
The IUPAC name of chloro-cyclohexa-1,5-dien-1-yl-phenylphosphane;ethane (CID 143889847) is chloro-cyclohexa-1,5-dien-1-yl-phenylphosphane;ethane.
What is the SMILES notation for chloro-cyclohexa-1,5-dien-1-yl-phenylphosphane;ethane?
The canonical SMILES for chloro-cyclohexa-1,5-dien-1-yl-phenylphosphane;ethane is CC.ClP(C1=CCCC=C1)c1ccccc1.
What is the InChIKey of chloro-cyclohexa-1,5-dien-1-yl-phenylphosphane;ethane?
The InChIKey is NIBZADJQGBINRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClP.C2H6/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2/h1,3-5,7-10H,2,6H2;1-2H3.
What are the key properties of chloro-cyclohexa-1,5-dien-1-yl-phenylphosphane;ethane?
chloro-cyclohexa-1,5-dien-1-yl-phenylphosphane;ethane has a molecular weight of 252.73 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-cyclohexa-1,5-dien-1-yl-phenylphosphane;ethane is sourced from PubChem (CID 143889847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).