ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol

C14H24O3 — CID 91115975

IUPACethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol
SMILESCC.COc1cc(C)c(OCCCO)c(C)c1
InChIInChI=1S/C12H18O3.C2H6/c1-9-7-11(14-3)8-10(2)12(9)15-6-4-5-13;1-2/h7-8,13H,4-6H2,1-3H3;1-2H3
InChIKeyCFXJVLHQHNGIJG-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.10
Rot. Bonds5

About ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol

ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol (PubChem CID 91115975) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol.

Molecular Properties

Compound Nameethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol
PubChem CID91115975
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol
SMILESCC.COc1cc(C)c(OCCCO)c(C)c1
InChIInChI=1S/C12H18O3.C2H6/c1-9-7-11(14-3)8-10(2)12(9)15-6-4-5-13;1-2/h7-8,13H,4-6H2,1-3H3;1-2H3
InChIKeyCFXJVLHQHNGIJG-UHFFFAOYSA-N
XLogP3.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene
CID 22963239
ethane;5-methoxy-1,3-dimethyl-2-propoxybenzene
CID 90702699
2-ethoxy-5-methoxy-1,3-dimethylbenzene
CID 130882299
5-(2,4,6-trimethylphenoxy)pentan-1-ol
CID 62228821
3-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]propan-1-ol
CID 63061499
2-hydroxyethyl-[5-(2,4,6-trimethylphenoxy)pentyl]azanium
CID 2249854
[4-(hydroxymethoxy)-3,5-dimethylphenoxy]methanol
CID 139835517
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
3-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]propan-1-ol
CID 112620944
4-(6-hydroxyhexoxy)-3,5-dimethylbenzonitrile
CID 103867927
3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol
CID 117305985
2-(3-methoxy-5-methylphenoxy)ethanol
CID 59177464

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol?
The IUPAC name of ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol (CID 91115975) is ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol.
What is the SMILES notation for ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol?
The canonical SMILES for ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol is CC.COc1cc(C)c(OCCCO)c(C)c1.
What is the InChIKey of ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol?
The InChIKey is CFXJVLHQHNGIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3.C2H6/c1-9-7-11(14-3)8-10(2)12(9)15-6-4-5-13;1-2/h7-8,13H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol?
ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol has a molecular weight of 240.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol is sourced from PubChem (CID 91115975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).