2-(4-ethyl-2-methoxyphenoxy)pentan-3-ol

C14H22O3 — CID 107667812

IUPAC2-(4-ethyl-2-methoxyphenoxy)pentan-3-ol
SMILESCCc1ccc(OC(C)C(O)CC)c(OC)c1
InChIInChI=1S/C14H22O3/c1-5-11-7-8-13(14(9-11)16-4)17-10(3)12(15)6-2/h7-10,12,15H,5-6H2,1-4H3
InChIKeyMUDRTGFMQXRYSO-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.80
Rot. Bonds6

About 2-(4-ethyl-2-methoxyphenoxy)pentan-3-ol

2-(4-ethyl-2-methoxyphenoxy)pentan-3-ol (PubChem CID 107667812) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(4-ethyl-2-methoxyphenoxy)pentan-3-ol.

Molecular Properties

Compound Name2-(4-ethyl-2-methoxyphenoxy)pentan-3-ol
PubChem CID107667812
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-(4-ethyl-2-methoxyphenoxy)pentan-3-ol
SMILESCCc1ccc(OC(C)C(O)CC)c(OC)c1
InChIInChI=1S/C14H22O3/c1-5-11-7-8-13(14(9-11)16-4)17-10(3)12(15)6-2/h7-10,12,15H,5-6H2,1-4H3
InChIKeyMUDRTGFMQXRYSO-UHFFFAOYSA-N
XLogP2.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid
CID 107663541
1-(3,4-dimethoxyphenyl)-3-methylpentan-2-ol
CID 63018781
1-(3,4-dimethoxyphenyl)hexane-3,4-diol
CID 83928894
1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 107663977
3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol
CID 79422765
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 107664454
1-[4-(4-ethyl-2-methoxyphenoxy)phenyl]propan-2-amine
CID 107668887
2-(ethylamino)-4-(4-ethyl-2-methoxyphenoxy)-2-methylpentan-1-ol
CID 107669196
(4-ethyl-2-methoxyphenyl) acetate;propane
CID 160615709
(1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol
CID 63364627

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methoxyphenoxy)pentan-3-ol?
The IUPAC name of 2-(4-ethyl-2-methoxyphenoxy)pentan-3-ol (CID 107667812) is 2-(4-ethyl-2-methoxyphenoxy)pentan-3-ol.
What is the SMILES notation for 2-(4-ethyl-2-methoxyphenoxy)pentan-3-ol?
The canonical SMILES for 2-(4-ethyl-2-methoxyphenoxy)pentan-3-ol is CCc1ccc(OC(C)C(O)CC)c(OC)c1.
What is the InChIKey of 2-(4-ethyl-2-methoxyphenoxy)pentan-3-ol?
The InChIKey is MUDRTGFMQXRYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-11-7-8-13(14(9-11)16-4)17-10(3)12(15)6-2/h7-10,12,15H,5-6H2,1-4H3.
What are the key properties of 2-(4-ethyl-2-methoxyphenoxy)pentan-3-ol?
2-(4-ethyl-2-methoxyphenoxy)pentan-3-ol has a molecular weight of 238.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methoxyphenoxy)pentan-3-ol is sourced from PubChem (CID 107667812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).