4-[2-(2-benzhydrylcyclohexyl)phenyl]hex-3-en-3-ylphosphane;ethane

C35H49P — CID 144617308

IUPAC4-[2-(2-benzhydrylcyclohexyl)phenyl]hex-3-en-3-ylphosphane;ethane
SMILESCC.CC.CCC(P)=C(CC)c1ccccc1C1CCCCC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H37P.2C2H6/c1-3-25(30(32)4-2)26-19-11-12-20-27(26)28-21-13-14-22-29(28)31(23-15-7-5-8-16-23)24-17-9-6-10-18-24;2*1-2/h5-12,15-20,28-29,31H,3-4,13-14,21-22,32H2,1-2H3;2*1-2H3
InChIKeyRJDQETCGYMUMPP-UHFFFAOYSA-N
MW500.75 g/mol
LogP11.25
Rot. Bonds7

About 4-[2-(2-benzhydrylcyclohexyl)phenyl]hex-3-en-3-ylphosphane;ethane

4-[2-(2-benzhydrylcyclohexyl)phenyl]hex-3-en-3-ylphosphane;ethane (PubChem CID 144617308) has the molecular formula C35H49P and a molecular weight of 500.75 g/mol. Its IUPAC name is 4-[2-(2-benzhydrylcyclohexyl)phenyl]hex-3-en-3-ylphosphane;ethane.

Molecular Properties

Compound Name4-[2-(2-benzhydrylcyclohexyl)phenyl]hex-3-en-3-ylphosphane;ethane
PubChem CID144617308
Molecular FormulaC35H49P
Molecular Weight500.75 g/mol
Exact Mass500.36
IUPAC Name4-[2-(2-benzhydrylcyclohexyl)phenyl]hex-3-en-3-ylphosphane;ethane
SMILESCC.CC.CCC(P)=C(CC)c1ccccc1C1CCCCC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H37P.2C2H6/c1-3-25(30(32)4-2)26-19-11-12-20-27(26)28-21-13-14-22-29(28)31(23-15-7-5-8-16-23)24-17-9-6-10-18-24;2*1-2/h5-12,15-20,28-29,31H,3-4,13-14,21-22,32H2,1-2H3;2*1-2H3
InChIKeyRJDQETCGYMUMPP-UHFFFAOYSA-N
XLogP11.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.75
LogP ≤ 511.25
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

2-[2-(difluoromethyl)cyclohexyl]benzoic acid
CID 115047308
5-[[3-hydroxy-4-[2-(1-phenylethyl)cyclohexyl]phenyl]methyl]-2-[2-(1-phenylethyl)cyclohexyl]phenol
CID 101304092
[(3S)-2-cyclopentyloxy-4-methylidenehex-1-en-3-yl]benzene
CID 145023247
1-(2-phenylcyclohexyl)propan-1-ol
CID 105403860
[2-(2-chlorocyclohexyl)phenyl] propanoate
CID 70448783
4-cyclohexylpentan-2-ylbenzene;ethane;methanol
CID 90992156
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
(1R,2R,3R)-1-cyclohexyl-2-methyl-3-phenylpropane-1,3-diol
CID 101021002
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
cyclopentyl N-(2-phenylpropyl)carbamate
CID 59093438
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
CID 58193955
1-[4,4-bis[2-(2-methylcyclohexyl)phenyl]butan-2-yl]-2-(2-methylcyclohexyl)benzene
CID 161276937

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-benzhydrylcyclohexyl)phenyl]hex-3-en-3-ylphosphane;ethane?
The IUPAC name of 4-[2-(2-benzhydrylcyclohexyl)phenyl]hex-3-en-3-ylphosphane;ethane (CID 144617308) is 4-[2-(2-benzhydrylcyclohexyl)phenyl]hex-3-en-3-ylphosphane;ethane.
What is the SMILES notation for 4-[2-(2-benzhydrylcyclohexyl)phenyl]hex-3-en-3-ylphosphane;ethane?
The canonical SMILES for 4-[2-(2-benzhydrylcyclohexyl)phenyl]hex-3-en-3-ylphosphane;ethane is CC.CC.CCC(P)=C(CC)c1ccccc1C1CCCCC1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[2-(2-benzhydrylcyclohexyl)phenyl]hex-3-en-3-ylphosphane;ethane?
The InChIKey is RJDQETCGYMUMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37P.2C2H6/c1-3-25(30(32)4-2)26-19-11-12-20-27(26)28-21-13-14-22-29(28)31(23-15-7-5-8-16-23)24-17-9-6-10-18-24;2*1-2/h5-12,15-20,28-29,31H,3-4,13-14,21-22,32H2,1-2H3;2*1-2H3.
What are the key properties of 4-[2-(2-benzhydrylcyclohexyl)phenyl]hex-3-en-3-ylphosphane;ethane?
4-[2-(2-benzhydrylcyclohexyl)phenyl]hex-3-en-3-ylphosphane;ethane has a molecular weight of 500.75 g/mol, XLogP of 11.25, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-benzhydrylcyclohexyl)phenyl]hex-3-en-3-ylphosphane;ethane is sourced from PubChem (CID 144617308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).