2-[4-(1-hydroxyethyl)-2-methylphenoxy]-2-methylpropan-1-ol

C13H20O3 — CID 167230940

IUPAC2-[4-(1-hydroxyethyl)-2-methylphenoxy]-2-methylpropan-1-ol
SMILESCc1cc(C(C)O)ccc1OC(C)(C)CO
InChIInChI=1S/C13H20O3/c1-9-7-11(10(2)15)5-6-12(9)16-13(3,4)8-14/h5-7,10,14-15H,8H2,1-4H3
InChIKeyRVXOMWBOPREYSH-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.20
Rot. Bonds4

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

2-[4-(1-hydroxyethyl)-2-methylphenoxy]-2-methylpropan-1-ol (PubChem CID 167230940) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)-2-methylphenoxy]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)-2-methylphenoxy]-2-methylpropan-1-ol
PubChem CID167230940
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-[4-(1-hydroxyethyl)-2-methylphenoxy]-2-methylpropan-1-ol
SMILESCc1cc(C(C)O)ccc1OC(C)(C)CO
InChIInChI=1S/C13H20O3/c1-9-7-11(10(2)15)5-6-12(9)16-13(3,4)8-14/h5-7,10,14-15H,8H2,1-4H3
InChIKeyRVXOMWBOPREYSH-UHFFFAOYSA-N
XLogP2.20
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
3-[[4-(1-hydroxyethyl)-2-methylphenoxy]methyl]pentan-3-ol
CID 114494496
1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 82089007
2-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1-hydroxypropyl]-2-methylphenoxy]-2-methylpropan-1-ol
CID 165402206
ethyl 2-[4-[(1S)-1-hydroxyethyl]-2-methylphenoxy]propanoate
CID 113387042
1-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]ethanol
CID 82090144
3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine
CID 117097180
ethyl 2-[4-(1-aminoethyl)-2-methylphenoxy]-2-methylpropanoate
CID 20766027
2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 70906490
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanol
CID 63217010
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)-2-methylphenoxy]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-(1-hydroxyethyl)-2-methylphenoxy]-2-methylpropan-1-ol (CID 167230940) is 2-[4-(1-hydroxyethyl)-2-methylphenoxy]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)-2-methylphenoxy]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-(1-hydroxyethyl)-2-methylphenoxy]-2-methylpropan-1-ol is Cc1cc(C(C)O)ccc1OC(C)(C)CO.
What is the InChIKey of 2-[4-(1-hydroxyethyl)-2-methylphenoxy]-2-methylpropan-1-ol?
The InChIKey is RVXOMWBOPREYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-9-7-11(10(2)15)5-6-12(9)16-13(3,4)8-14/h5-7,10,14-15H,8H2,1-4H3.
What are the key properties of 2-[4-(1-hydroxyethyl)-2-methylphenoxy]-2-methylpropan-1-ol?
2-[4-(1-hydroxyethyl)-2-methylphenoxy]-2-methylpropan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)-2-methylphenoxy]-2-methylpropan-1-ol is sourced from PubChem (CID 167230940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).