1-(3-ethylphenoxy)ethanol

C10H14O2 — CID 66709778

IUPAC1-(3-ethylphenoxy)ethanol
SMILESCCc1cccc(OC(C)O)c1
InChIInChI=1S/C10H14O2/c1-3-9-5-4-6-10(7-9)12-8(2)11/h4-8,11H,3H2,1-2H3
InChIKeyGUFGXAIZAAYYKA-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.97
Rot. Bonds3

About 1-(3-ethylphenoxy)ethanol

1-(3-ethylphenoxy)ethanol (PubChem CID 66709778) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(3-ethylphenoxy)ethanol.

Molecular Properties

Compound Name1-(3-ethylphenoxy)ethanol
PubChem CID66709778
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(3-ethylphenoxy)ethanol
SMILESCCc1cccc(OC(C)O)c1
InChIInChI=1S/C10H14O2/c1-3-9-5-4-6-10(7-9)12-8(2)11/h4-8,11H,3H2,1-2H3
InChIKeyGUFGXAIZAAYYKA-UHFFFAOYSA-N
XLogP1.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3-ethylphenoxy)propanoic acid
CID 10845483
ethane;1-ethyl-3-(1-fluoroethoxy)benzene
CID 170603835
(3-ethylphenyl) 3-methylbutanoate
CID 91711230
4-[1-(3-ethylphenoxy)ethyl]pyridine
CID 70911027
ethyl 2-(3-ethylphenoxy)pentanoate
CID 83038247
3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 114999658
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
(3-ethylphenyl) hypoiodite
CID 71211599
N-(2,6-dimethylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53266830
3-(3-ethylphenoxy)-5-propan-2-yloxyaniline
CID 80748281
1-(3-chloro-1-phenylpropoxy)-3-ethylbenzene
CID 112501878
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenoxy)ethanol?
The IUPAC name of 1-(3-ethylphenoxy)ethanol (CID 66709778) is 1-(3-ethylphenoxy)ethanol.
What is the SMILES notation for 1-(3-ethylphenoxy)ethanol?
The canonical SMILES for 1-(3-ethylphenoxy)ethanol is CCc1cccc(OC(C)O)c1.
What is the InChIKey of 1-(3-ethylphenoxy)ethanol?
The InChIKey is GUFGXAIZAAYYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-9-5-4-6-10(7-9)12-8(2)11/h4-8,11H,3H2,1-2H3.
What are the key properties of 1-(3-ethylphenoxy)ethanol?
1-(3-ethylphenoxy)ethanol has a molecular weight of 166.22 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenoxy)ethanol is sourced from PubChem (CID 66709778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).