potassium;ethane;1-methanidyl-4-methoxybenzene;1-methoxy-4-propylbenzene

C20H29KO2 — CID 172578075

IUPACpotassium;ethane;1-methanidyl-4-methoxybenzene;1-methoxy-4-propylbenzene
SMILESCC.CCCc1ccc(OC)cc1.[CH2-]c1ccc(OC)cc1.[K+]
InChIInChI=1S/C10H14O.C8H9O.C2H6.K/c1-3-4-9-5-7-10(11-2)8-6-9;1-7-3-5-8(9-2)6-4-7;1-2;/h5-8H,3-4H2,1-2H3;3-6H,1H2,2H3;1-2H3;/q;-1;;+1
InChIKeyVPPCBXLVPYSMRU-UHFFFAOYSA-N
MW340.55 g/mol
LogP2.56
Rot. Bonds4

About potassium;ethane;1-methanidyl-4-methoxybenzene;1-methoxy-4-propylbenzene

potassium;ethane;1-methanidyl-4-methoxybenzene;1-methoxy-4-propylbenzene (PubChem CID 172578075) has the molecular formula C20H29KO2 and a molecular weight of 340.55 g/mol. Its IUPAC name is potassium;ethane;1-methanidyl-4-methoxybenzene;1-methoxy-4-propylbenzene.

Molecular Properties

Compound Namepotassium;ethane;1-methanidyl-4-methoxybenzene;1-methoxy-4-propylbenzene
PubChem CID172578075
Molecular FormulaC20H29KO2
Molecular Weight340.55 g/mol
Exact Mass340.18
IUPAC Namepotassium;ethane;1-methanidyl-4-methoxybenzene;1-methoxy-4-propylbenzene
SMILESCC.CCCc1ccc(OC)cc1.[CH2-]c1ccc(OC)cc1.[K+]
InChIInChI=1S/C10H14O.C8H9O.C2H6.K/c1-3-4-9-5-7-10(11-2)8-6-9;1-7-3-5-8(9-2)6-4-7;1-2;/h5-8H,3-4H2,1-2H3;3-6H,1H2,2H3;1-2H3;/q;-1;;+1
InChIKeyVPPCBXLVPYSMRU-UHFFFAOYSA-N
XLogP2.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methoxy-4-propylbenzene
CID 142085762
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
zinc 1-methanidyl-4-methoxybenzene
CID 22139715
1-[bromo-(4-methoxyphenyl)methyl]-4-propylbenzene
CID 63440600
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
3-(4-methoxyphenyl)-6-(4-propylphenyl)pyridazine
CID 14669906
2-fluoro-4-[2-(4-methoxyphenyl)ethyl]-1-(4-propylphenyl)benzene
CID 19906916
3-(4-methoxyphenyl)-1-(4-propylphenyl)propan-1-amine
CID 43099758
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079
(4-propylphenyl) hypochlorite
CID 175330115
CID 175604529
CID 175604529

Frequently Asked Questions

What is the IUPAC name of potassium;ethane;1-methanidyl-4-methoxybenzene;1-methoxy-4-propylbenzene?
The IUPAC name of potassium;ethane;1-methanidyl-4-methoxybenzene;1-methoxy-4-propylbenzene (CID 172578075) is potassium;ethane;1-methanidyl-4-methoxybenzene;1-methoxy-4-propylbenzene.
What is the SMILES notation for potassium;ethane;1-methanidyl-4-methoxybenzene;1-methoxy-4-propylbenzene?
The canonical SMILES for potassium;ethane;1-methanidyl-4-methoxybenzene;1-methoxy-4-propylbenzene is CC.CCCc1ccc(OC)cc1.[CH2-]c1ccc(OC)cc1.[K+].
What is the InChIKey of potassium;ethane;1-methanidyl-4-methoxybenzene;1-methoxy-4-propylbenzene?
The InChIKey is VPPCBXLVPYSMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C8H9O.C2H6.K/c1-3-4-9-5-7-10(11-2)8-6-9;1-7-3-5-8(9-2)6-4-7;1-2;/h5-8H,3-4H2,1-2H3;3-6H,1H2,2H3;1-2H3;/q;-1;;+1.
What are the key properties of potassium;ethane;1-methanidyl-4-methoxybenzene;1-methoxy-4-propylbenzene?
potassium;ethane;1-methanidyl-4-methoxybenzene;1-methoxy-4-propylbenzene has a molecular weight of 340.55 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;ethane;1-methanidyl-4-methoxybenzene;1-methoxy-4-propylbenzene is sourced from PubChem (CID 172578075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).