2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol

C12H18O3 — CID 61074623

IUPAC2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol
SMILESCc1ccc(OCCOCCO)cc1C
InChIInChI=1S/C12H18O3/c1-10-3-4-12(9-11(10)2)15-8-7-14-6-5-13/h3-4,9,13H,5-8H2,1-2H3
InChIKeyIPRIPKVVOMWGOW-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.69
Rot. Bonds6

About 2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol

2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol (PubChem CID 61074623) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol
PubChem CID61074623
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol
SMILESCc1ccc(OCCOCCO)cc1C
InChIInChI=1S/C12H18O3/c1-10-3-4-12(9-11(10)2)15-8-7-14-6-5-13/h3-4,9,13H,5-8H2,1-2H3
InChIKeyIPRIPKVVOMWGOW-UHFFFAOYSA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.69
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

2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol
CID 61069192
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
1,2-dimethyl-4-(2-propoxyethoxy)benzene
CID 155584258
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene
CID 129113813
4-[2-(6-bromohexoxy)ethoxy]-1,2-dimethylbenzene
CID 23045318
2-[4-(3,4-dimethylphenyl)phenoxy]ethanol
CID 82117712
1,2-dimethyl-4-propoxybenzene
CID 23549082
4-(3-chloropropoxy)-1,2-dimethylbenzene
CID 16788005
4-[2-(2-hydroxyethoxy)ethoxy]phenol;tungsten
CID 58924724
2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol
CID 102155693

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol (CID 61074623) is 2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol is Cc1ccc(OCCOCCO)cc1C.
What is the InChIKey of 2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol?
The InChIKey is IPRIPKVVOMWGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-10-3-4-12(9-11(10)2)15-8-7-14-6-5-13/h3-4,9,13H,5-8H2,1-2H3.
What are the key properties of 2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol?
2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol has a molecular weight of 210.27 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol is sourced from PubChem (CID 61074623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).