4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol

C14H22O3 — CID 79356014

IUPAC4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol
SMILESCc1ccc(C(C)O)c(OCCC(C)(C)O)c1
InChIInChI=1S/C14H22O3/c1-10-5-6-12(11(2)15)13(9-10)17-8-7-14(3,4)16/h5-6,9,11,15-16H,7-8H2,1-4H3
InChIKeyVIYDWLQRAJOFIU-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.59
Rot. Bonds5

About 4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol

4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol (PubChem CID 79356014) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol
PubChem CID79356014
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol
SMILESCc1ccc(C(C)O)c(OCCC(C)(C)O)c1
InChIInChI=1S/C14H22O3/c1-10-5-6-12(11(2)15)13(9-10)17-8-7-14(3,4)16/h5-6,9,11,15-16H,7-8H2,1-4H3
InChIKeyVIYDWLQRAJOFIU-UHFFFAOYSA-N
XLogP2.59
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-methyl-2-propoxyphenyl)ethanol
CID 63650759
1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanol
CID 113326521
4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol
CID 79355173
(1R)-1-(2-butoxy-4-methylphenyl)ethanol
CID 63650593
6-[2-(1-hydroxyethyl)-5-methylphenoxy]-2,2-dimethylhexanenitrile
CID 106712974
6-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-2,2-dimethylhexanenitrile
CID 106712976
1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol
CID 114265286
(1R)-1-(4-methyl-2-nonoxyphenyl)ethanol
CID 78947128
(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol
CID 78962768
1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol
CID 114472830
3-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]pentan-3-ol
CID 104930653
(1S)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 78947557

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol (CID 79356014) is 4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol is Cc1ccc(C(C)O)c(OCCC(C)(C)O)c1.
What is the InChIKey of 4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol?
The InChIKey is VIYDWLQRAJOFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-10-5-6-12(11(2)15)13(9-10)17-8-7-14(3,4)16/h5-6,9,11,15-16H,7-8H2,1-4H3.
What are the key properties of 4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol?
4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-hydroxyethyl)-5-methylphenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 79356014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).