ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene

C15H26O2 — CID 177171107

IUPACethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
SMILESCC.COCCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C13H20O2.C2H6/c1-11(2)12-5-7-13(8-6-12)15-10-4-9-14-3;1-2/h5-8,11H,4,9-10H2,1-3H3;1-2H3
InChIKeyBERZSSQIJHZXMU-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.25
Rot. Bonds6

About ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene

ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene (PubChem CID 177171107) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene.

Molecular Properties

Compound Nameethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
PubChem CID177171107
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nameethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
SMILESCC.COCCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C13H20O2.C2H6/c1-11(2)12-5-7-13(8-6-12)15-10-4-9-14-3;1-2/h5-8,11H,4,9-10H2,1-3H3;1-2H3
InChIKeyBERZSSQIJHZXMU-UHFFFAOYSA-N
XLogP4.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methoxy-4-(3-methoxypropoxy)benzene
CID 143283206
ethane;4-(3-methoxypropoxy)phenol
CID 143283309
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
ethane;1-methoxy-4-(4-methoxybutoxy)benzene
CID 143283261
1-(4,4,5,5,5-pentafluoropentoxy)-4-propan-2-ylbenzene
CID 129166789
1-pent-4-ynoxy-4-propan-2-ylbenzene
CID 82363089
1-pent-4-enoxy-4-propan-2-ylbenzene
CID 64764392
(1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103402999
1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 64766053
5-(3-methoxypropoxy)-2-propan-2-ylpyridine
CID 58448811
1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene
CID 139799938
(1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine
CID 103177829

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene?
The IUPAC name of ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene (CID 177171107) is ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene.
What is the SMILES notation for ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene?
The canonical SMILES for ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene is CC.COCCCOc1ccc(C(C)C)cc1.
What is the InChIKey of ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene?
The InChIKey is BERZSSQIJHZXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2.C2H6/c1-11(2)12-5-7-13(8-6-12)15-10-4-9-14-3;1-2/h5-8,11H,4,9-10H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene?
ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene has a molecular weight of 238.37 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene is sourced from PubChem (CID 177171107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).