3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol

C15H24O4 — CID 154641760

IUPAC3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol
SMILESCCC(CC)COCC(O)COc1cccc(O)c1
InChIInChI=1S/C15H24O4/c1-3-12(4-2)9-18-10-14(17)11-19-15-7-5-6-13(16)8-15/h5-8,12,14,16-17H,3-4,9-11H2,1-2H3
InChIKeySWCKZNJVTOUWLQ-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.58
Rot. Bonds9

About 3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol

3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol (PubChem CID 154641760) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol.

Molecular Properties

Compound Name3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol
PubChem CID154641760
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol
SMILESCCC(CC)COCC(O)COc1cccc(O)c1
InChIInChI=1S/C15H24O4/c1-3-12(4-2)9-18-10-14(17)11-19-15-7-5-6-13(16)8-15/h5-8,12,14,16-17H,3-4,9-11H2,1-2H3
InChIKeySWCKZNJVTOUWLQ-UHFFFAOYSA-N
XLogP2.58
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-ethylicosoxy)-2-hydroxypropoxy]phenol
CID 154641761
3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol
CID 141158658
3-(2-hydroxy-3-tetradecoxypropoxy)phenol
CID 154641775
1,3-bis(2-ethylbutoxy)benzene
CID 118415236
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
1-(3-aminophenoxy)-3-ethoxypropan-2-ol
CID 10680007
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
3-(2-fluoropropoxy)phenol
CID 84653742
1-(3-methylphenoxy)butan-2-ol
CID 13089920
propyl 2-[[2-hydroxy-3-(3-hydroxyphenoxy)propyl]amino]-2-phenoxyacetate
CID 67677935
1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol
CID 67316817
3-[2-(hydroxymethyl)-3,3-dimethylbutoxy]phenol
CID 117242401

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol?
The IUPAC name of 3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol (CID 154641760) is 3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol.
What is the SMILES notation for 3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol?
The canonical SMILES for 3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol is CCC(CC)COCC(O)COc1cccc(O)c1.
What is the InChIKey of 3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol?
The InChIKey is SWCKZNJVTOUWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-3-12(4-2)9-18-10-14(17)11-19-15-7-5-6-13(16)8-15/h5-8,12,14,16-17H,3-4,9-11H2,1-2H3.
What are the key properties of 3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol?
3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol has a molecular weight of 268.35 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol is sourced from PubChem (CID 154641760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).