1-(3,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanol

C18H22O3 — CID 62336547

IUPAC1-(3,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanol
SMILESCCOc1cccc(OCC(O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H22O3/c1-4-20-16-6-5-7-17(11-16)21-12-18(19)15-9-8-13(2)14(3)10-15/h5-11,18-19H,4,12H2,1-3H3
InChIKeyYHVZCVXLZXUWPB-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.81
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanol

1-(3,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanol (PubChem CID 62336547) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanol
PubChem CID62336547
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-(3,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanol
SMILESCCOc1cccc(OCC(O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H22O3/c1-4-20-16-6-5-7-17(11-16)21-12-18(19)15-9-8-13(2)14(3)10-15/h5-11,18-19H,4,12H2,1-3H3
InChIKeyYHVZCVXLZXUWPB-UHFFFAOYSA-N
XLogP3.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol
CID 105091612
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol
CID 60798972
1-(3-ethoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346766
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)ethanol
CID 105079210
2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol
CID 105121340
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598
1-(3-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 79018522
(2,4-dimethylphenyl)-(3-ethoxyphenyl)methanol
CID 62802337
(2S)-1-(3-ethoxyphenoxy)propan-2-amine
CID 79002236

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanol?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanol (CID 62336547) is 1-(3,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanol is CCOc1cccc(OCC(O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanol?
The InChIKey is YHVZCVXLZXUWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-4-20-16-6-5-7-17(11-16)21-12-18(19)15-9-8-13(2)14(3)10-15/h5-11,18-19H,4,12H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanol?
1-(3,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanol has a molecular weight of 286.37 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanol is sourced from PubChem (CID 62336547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).