1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol

C13H20O4 — CID 139797710

IUPAC1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol
SMILESCc1cccc(OCC(C)O)c1OCC(C)O
InChIInChI=1S/C13H20O4/c1-9-5-4-6-12(16-7-10(2)14)13(9)17-8-11(3)15/h4-6,10-11,14-15H,7-8H2,1-3H3
InChIKeyNVKKIKSMIJCNFN-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.51
Rot. Bonds6

About 1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol

1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol (PubChem CID 139797710) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol
PubChem CID139797710
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol
SMILESCc1cccc(OCC(C)O)c1OCC(C)O
InChIInChI=1S/C13H20O4/c1-9-5-4-6-12(16-7-10(2)14)13(9)17-8-11(3)15/h4-6,10-11,14-15H,7-8H2,1-3H3
InChIKeyNVKKIKSMIJCNFN-UHFFFAOYSA-N
XLogP1.51
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-hydroxypropoxy)-3-propan-2-ylphenoxy]propan-2-ol
CID 70257294
1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol
CID 112607256
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol
CID 19774059
1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol
CID 14692873
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
2-[2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 139797700
1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881141
3-ethoxy-2-(2-hydroxypropoxy)benzoic acid
CID 60884976
1-(5-chloro-2-methylphenoxy)propan-2-ol
CID 21423645

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol?
The IUPAC name of 1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol (CID 139797710) is 1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol?
The canonical SMILES for 1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol is Cc1cccc(OCC(C)O)c1OCC(C)O.
What is the InChIKey of 1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol?
The InChIKey is NVKKIKSMIJCNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-9-5-4-6-12(16-7-10(2)14)13(9)17-8-11(3)15/h4-6,10-11,14-15H,7-8H2,1-3H3.
What are the key properties of 1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol?
1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol has a molecular weight of 240.30 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol is sourced from PubChem (CID 139797710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).