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

C12H18O4 — CID 14025005

IUPAC2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol
SMILESCc1c(OCCO)ccc(OCCO)c1C
InChIInChI=1S/C12H18O4/c1-9-10(2)12(16-8-6-14)4-3-11(9)15-7-5-13/h3-4,13-14H,5-8H2,1-2H3
InChIKeyJVDWXBMYXSBAAR-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.05
Rot. Bonds6

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

2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol (PubChem CID 14025005) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol
PubChem CID14025005
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol
SMILESCc1c(OCCO)ccc(OCCO)c1C
InChIInChI=1S/C12H18O4/c1-9-10(2)12(16-8-6-14)4-3-11(9)15-7-5-13/h3-4,13-14H,5-8H2,1-2H3
InChIKeyJVDWXBMYXSBAAR-UHFFFAOYSA-N
XLogP1.05
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-amino-2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 146405993
3,6-bis(2-hydroxyethoxy)benzene-1,2-diol
CID 18513327
2-[2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 139797700
2-[6-[4,6-bis[4-butoxy-2-(2-hydroxyethoxy)-3-methylphenyl]-1,3,5-triazin-2-yl]-3-butoxy-2-methylphenoxy]ethanol
CID 171784743
3-(2-hydroxyethoxy)-6-methyl-1H-pyridin-2-one
CID 68886642
2-[(2-chloro-6-methyl-3-pyridinyl)oxy]ethanol
CID 130686147
2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol
CID 67511777
3-[3-(2-hydroxyethoxy)-2-methylphenyl]-2-methylbenzaldehyde
CID 59544470
5-(2-hydroxyethoxy)-4-methyl-1H-indole-3-carboxylic acid
CID 139271113
2-(3-amino-2,6-dimethylphenoxy)ethanol
CID 62018329
2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol
CID 89126006
2-(2-hydroxyethoxy)-3,6-dimethylphenol
CID 130131096

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol?
The IUPAC name of 2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol (CID 14025005) is 2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol.
What is the SMILES notation for 2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol?
The canonical SMILES for 2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol is Cc1c(OCCO)ccc(OCCO)c1C.
What is the InChIKey of 2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol?
The InChIKey is JVDWXBMYXSBAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-9-10(2)12(16-8-6-14)4-3-11(9)15-7-5-13/h3-4,13-14H,5-8H2,1-2H3.
What are the key properties of 2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol?
2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol has a molecular weight of 226.27 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol is sourced from PubChem (CID 14025005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).