2-(4-ethoxy-3,5-dimethylphenyl)ethanol

C12H18O2 — CID 91657255

IUPAC2-(4-ethoxy-3,5-dimethylphenyl)ethanol
SMILESCCOc1c(C)cc(CCO)cc1C
InChIInChI=1S/C12H18O2/c1-4-14-12-9(2)7-11(5-6-13)8-10(12)3/h7-8,13H,4-6H2,1-3H3
InChIKeyIXWXOPPGAWRGEO-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.24
Rot. Bonds4

About 2-(4-ethoxy-3,5-dimethylphenyl)ethanol

2-(4-ethoxy-3,5-dimethylphenyl)ethanol (PubChem CID 91657255) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-(4-ethoxy-3,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-ethoxy-3,5-dimethylphenyl)ethanol
PubChem CID91657255
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-(4-ethoxy-3,5-dimethylphenyl)ethanol
SMILESCCOc1c(C)cc(CCO)cc1C
InChIInChI=1S/C12H18O2/c1-4-14-12-9(2)7-11(5-6-13)8-10(12)3/h7-8,13H,4-6H2,1-3H3
InChIKeyIXWXOPPGAWRGEO-UHFFFAOYSA-N
XLogP2.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethoxy-3,5-dimethylphenyl)-N,N-dimethylpropan-1-amine
CID 170866561
2-(3,4-dimethoxy-5-methylphenyl)ethanol
CID 117286355
2-ethoxy-5-methoxy-1,3-dimethylbenzene
CID 130882299
N-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine
CID 43276749
2-(3-ethoxy-5-fluorophenyl)ethanol
CID 91657275
(1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol
CID 97294345
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
(4-heptoxy-3,5-dimethylphenyl)methanol
CID 43129630
3-[3-ethyl-4-(2-hydroxyethoxy)-5-methylphenyl]propanal
CID 91165982
5-(2,4,6-trimethylphenoxy)pentan-1-ol
CID 62228821
2-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol
CID 117345630
2-ethoxy-1,3-dimethyl-5-nitrobenzene
CID 13343824

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3,5-dimethylphenyl)ethanol?
The IUPAC name of 2-(4-ethoxy-3,5-dimethylphenyl)ethanol (CID 91657255) is 2-(4-ethoxy-3,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(4-ethoxy-3,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-(4-ethoxy-3,5-dimethylphenyl)ethanol is CCOc1c(C)cc(CCO)cc1C.
What is the InChIKey of 2-(4-ethoxy-3,5-dimethylphenyl)ethanol?
The InChIKey is IXWXOPPGAWRGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-14-12-9(2)7-11(5-6-13)8-10(12)3/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 2-(4-ethoxy-3,5-dimethylphenyl)ethanol?
2-(4-ethoxy-3,5-dimethylphenyl)ethanol has a molecular weight of 194.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3,5-dimethylphenyl)ethanol is sourced from PubChem (CID 91657255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).