2-[2-[1-[2-(2-hydroxyethoxy)-3-methylphenyl]propyl]-6-methylphenoxy]ethanol

C21H28O4 — CID 174987641

IUPAC2-[2-[1-[2-(2-hydroxyethoxy)-3-methylphenyl]propyl]-6-methylphenoxy]ethanol
SMILESCCC(c1cccc(C)c1OCCO)c1cccc(C)c1OCCO
InChIInChI=1S/C21H28O4/c1-4-17(18-9-5-7-15(2)20(18)24-13-11-22)19-10-6-8-16(3)21(19)25-14-12-23/h5-10,17,22-23H,4,11-14H2,1-3H3
InChIKeyIBPIBZPTBVCISS-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.59
Rot. Bonds9

About 2-[2-[1-[2-(2-hydroxyethoxy)-3-methylphenyl]propyl]-6-methylphenoxy]ethanol

2-[2-[1-[2-(2-hydroxyethoxy)-3-methylphenyl]propyl]-6-methylphenoxy]ethanol (PubChem CID 174987641) has the molecular formula C21H28O4 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-[2-[1-[2-(2-hydroxyethoxy)-3-methylphenyl]propyl]-6-methylphenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[1-[2-(2-hydroxyethoxy)-3-methylphenyl]propyl]-6-methylphenoxy]ethanol
PubChem CID174987641
Molecular FormulaC21H28O4
Molecular Weight344.45 g/mol
Exact Mass344.20
IUPAC Name2-[2-[1-[2-(2-hydroxyethoxy)-3-methylphenyl]propyl]-6-methylphenoxy]ethanol
SMILESCCC(c1cccc(C)c1OCCO)c1cccc(C)c1OCCO
InChIInChI=1S/C21H28O4/c1-4-17(18-9-5-7-15(2)20(18)24-13-11-22)19-10-6-8-16(3)21(19)25-14-12-23/h5-10,17,22-23H,4,11-14H2,1-3H3
InChIKeyIBPIBZPTBVCISS-UHFFFAOYSA-N
XLogP3.59
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[1-[2-(2-hydroxyethoxy)-3-methylphenyl]propyl]-6-methylphenoxy]ethanol with MolForge

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Related Compounds

2-[2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 139797700
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
N,N-dimethyl-2-(2-methyl-6-propan-2-ylphenoxy)ethanamine
CID 20679121
2-[1,3-bis(2,6-dimethylphenoxy)propan-2-yloxy]ethanol
CID 71201573
6-(2,6-dimethylphenoxy)hexan-3-ol
CID 106802636
1,3-dimethyl-2-propoxybenzene
CID 579040
2-(2-hydroxyethoxy)-3,6-dimethylphenol
CID 130131096
2-ethyl-1-(3-methyl-2-phenylmethoxyphenyl)butan-1-ol
CID 171366492
1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 82077181
2-[2-[1-[2-(2-hydroxyethoxy)-6-methoxy-3,5-dimethylphenyl]propyl]-3-(hydroxymethyl)-4,6-dimethylphenoxy]ethanol
CID 118922512
ethane;2-ethoxy-1,3-dimethylbenzene
CID 91163284
ethane;3-methyl-2-propoxyphenol
CID 143473467

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[2-(2-hydroxyethoxy)-3-methylphenyl]propyl]-6-methylphenoxy]ethanol?
The IUPAC name of 2-[2-[1-[2-(2-hydroxyethoxy)-3-methylphenyl]propyl]-6-methylphenoxy]ethanol (CID 174987641) is 2-[2-[1-[2-(2-hydroxyethoxy)-3-methylphenyl]propyl]-6-methylphenoxy]ethanol.
What is the SMILES notation for 2-[2-[1-[2-(2-hydroxyethoxy)-3-methylphenyl]propyl]-6-methylphenoxy]ethanol?
The canonical SMILES for 2-[2-[1-[2-(2-hydroxyethoxy)-3-methylphenyl]propyl]-6-methylphenoxy]ethanol is CCC(c1cccc(C)c1OCCO)c1cccc(C)c1OCCO.
What is the InChIKey of 2-[2-[1-[2-(2-hydroxyethoxy)-3-methylphenyl]propyl]-6-methylphenoxy]ethanol?
The InChIKey is IBPIBZPTBVCISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O4/c1-4-17(18-9-5-7-15(2)20(18)24-13-11-22)19-10-6-8-16(3)21(19)25-14-12-23/h5-10,17,22-23H,4,11-14H2,1-3H3.
What are the key properties of 2-[2-[1-[2-(2-hydroxyethoxy)-3-methylphenyl]propyl]-6-methylphenoxy]ethanol?
2-[2-[1-[2-(2-hydroxyethoxy)-3-methylphenyl]propyl]-6-methylphenoxy]ethanol has a molecular weight of 344.45 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[2-(2-hydroxyethoxy)-3-methylphenyl]propyl]-6-methylphenoxy]ethanol is sourced from PubChem (CID 174987641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).