[(E)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethenyl]benzene

C24H31O2P — CID 121493806

IUPAC[(E)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethenyl]benzene
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(=O)(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31O2P/c1-19(2)23-15-14-20(3)18-24(23)26-27(25,22-12-8-5-9-13-22)17-16-21-10-6-4-7-11-21/h4-13,16-17,19-20,23-24H,14-15,18H2,1-3H3/b17-16+/t20-,23+,24-,27?/m1/s1
InChIKeyIOUILGKMTNTRBA-KVBPVLQASA-N
MW382.48 g/mol
LogP6.74
Rot. Bonds6

About [(E)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethenyl]benzene

[(E)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethenyl]benzene (PubChem CID 121493806) has the molecular formula C24H31O2P and a molecular weight of 382.48 g/mol. Its IUPAC name is [(E)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethenyl]benzene
PubChem CID121493806
Molecular FormulaC24H31O2P
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name[(E)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethenyl]benzene
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(=O)(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31O2P/c1-19(2)23-15-14-20(3)18-24(23)26-27(25,22-12-8-5-9-13-22)17-16-21-10-6-4-7-11-21/h4-13,16-17,19-20,23-24H,14-15,18H2,1-3H3/b17-16+/t20-,23+,24-,27?/m1/s1
InChIKeyIOUILGKMTNTRBA-KVBPVLQASA-N
XLogP6.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.48
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(E)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[ethenyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
CID 11702254
[[(E)-2-(cyclohexen-1-yl)ethenyl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
CID 134933693
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 11792591
[[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 98130025
(E,1R)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-3-phenylprop-2-en-1-ol
CID 124771319
[cyclopentyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
CID 11617205
1,4-bis[[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]oxy]benzene
CID 102226548
N-[(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylphosphoryl]propan-2-amine
CID 3577659
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]oxybenzene
CID 46702319
N-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine
CID 11907532
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]methylbenzene
CID 102262705
2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine
CID 11899942

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethenyl]benzene?
The IUPAC name of [(E)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethenyl]benzene (CID 121493806) is [(E)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethenyl]benzene.
What is the SMILES notation for [(E)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethenyl]benzene?
The canonical SMILES for [(E)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethenyl]benzene is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(=O)(/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethenyl]benzene?
The InChIKey is IOUILGKMTNTRBA-KVBPVLQASA-N. The full InChI is InChI=1S/C24H31O2P/c1-19(2)23-15-14-20(3)18-24(23)26-27(25,22-12-8-5-9-13-22)17-16-21-10-6-4-7-11-21/h4-13,16-17,19-20,23-24H,14-15,18H2,1-3H3/b17-16+/t20-,23+,24-,27?/m1/s1.
What are the key properties of [(E)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethenyl]benzene?
[(E)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethenyl]benzene has a molecular weight of 382.48 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]ethenyl]benzene is sourced from PubChem (CID 121493806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).