[2-methoxy-3-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]phenoxy]-methyl-oxophosphanium

C18H28O3P+ — CID 54332940

IUPAC[2-methoxy-3-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]phenoxy]-methyl-oxophosphanium
SMILESCOc1c(O[P+](C)=O)cccc1[C@H]1CC(C)CCC1C(C)C
InChIInChI=1S/C18H28O3P/c1-12(2)14-10-9-13(3)11-16(14)15-7-6-8-17(18(15)20-4)21-22(5)19/h6-8,12-14,16H,9-11H2,1-5H3/q+1/t13?,14?,16-/m0/s1
InChIKeyOOJFDVUXZCVURV-XUJLQICISA-N
MW323.39 g/mol
LogP5.62
Rot. Bonds5

About [2-methoxy-3-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]phenoxy]-methyl-oxophosphanium

[2-methoxy-3-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]phenoxy]-methyl-oxophosphanium (PubChem CID 54332940) has the molecular formula C18H28O3P+ and a molecular weight of 323.39 g/mol. Its IUPAC name is [2-methoxy-3-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]phenoxy]-methyl-oxophosphanium.

Molecular Properties

Compound Name[2-methoxy-3-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]phenoxy]-methyl-oxophosphanium
PubChem CID54332940
Molecular FormulaC18H28O3P+
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name[2-methoxy-3-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]phenoxy]-methyl-oxophosphanium
SMILESCOc1c(O[P+](C)=O)cccc1[C@H]1CC(C)CCC1C(C)C
InChIInChI=1S/C18H28O3P/c1-12(2)14-10-9-13(3)11-16(14)15-7-6-8-17(18(15)20-4)21-22(5)19/h6-8,12-14,16H,9-11H2,1-5H3/q+1/t13?,14?,16-/m0/s1
InChIKeyOOJFDVUXZCVURV-XUJLQICISA-N
XLogP5.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.39
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate
CID 67635828
(1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanol
CID 124552585
(1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine
CID 124550908
[2-methoxy-6-[3-methoxy-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonyloxyphenyl]phenyl] [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate
CID 11433475
1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene
CID 139322901
2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)propanoic acid;2-(5-methyl-2-propan-2-ylcyclohexyl)benzoic acid
CID 69121792
1,3-dimethoxy-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]-5-pentylbenzene
CID 170456930
(5-methyl-2-propan-2-ylcyclohexyl)-oxo-phenylphosphanium
CID 12847229
2-methoxy-3-(3-methylcyclopentyl)benzaldehyde
CID 88745681
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-methoxyphenyl)-N-methylcarbamate
CID 58534396
CID 66630118
CID 66630118
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-3-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]phenoxy]-methyl-oxophosphanium?
The IUPAC name of [2-methoxy-3-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]phenoxy]-methyl-oxophosphanium (CID 54332940) is [2-methoxy-3-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]phenoxy]-methyl-oxophosphanium.
What is the SMILES notation for [2-methoxy-3-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]phenoxy]-methyl-oxophosphanium?
The canonical SMILES for [2-methoxy-3-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]phenoxy]-methyl-oxophosphanium is COc1c(O[P+](C)=O)cccc1[C@H]1CC(C)CCC1C(C)C.
What is the InChIKey of [2-methoxy-3-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]phenoxy]-methyl-oxophosphanium?
The InChIKey is OOJFDVUXZCVURV-XUJLQICISA-N. The full InChI is InChI=1S/C18H28O3P/c1-12(2)14-10-9-13(3)11-16(14)15-7-6-8-17(18(15)20-4)21-22(5)19/h6-8,12-14,16H,9-11H2,1-5H3/q+1/t13?,14?,16-/m0/s1.
What are the key properties of [2-methoxy-3-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]phenoxy]-methyl-oxophosphanium?
[2-methoxy-3-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]phenoxy]-methyl-oxophosphanium has a molecular weight of 323.39 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-3-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]phenoxy]-methyl-oxophosphanium is sourced from PubChem (CID 54332940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).