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

C15H24O4 — CID 70257294

IUPAC1-[2-(2-hydroxypropoxy)-3-propan-2-ylphenoxy]propan-2-ol
SMILESCC(O)COc1cccc(C(C)C)c1OCC(C)O
InChIInChI=1S/C15H24O4/c1-10(2)13-6-5-7-14(18-8-11(3)16)15(13)19-9-12(4)17/h5-7,10-12,16-17H,8-9H2,1-4H3
InChIKeyOCYZKNUTCVADPD-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.33
Rot. Bonds7

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

1-[2-(2-hydroxypropoxy)-3-propan-2-ylphenoxy]propan-2-ol (PubChem CID 70257294) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropoxy)-3-propan-2-ylphenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxypropoxy)-3-propan-2-ylphenoxy]propan-2-ol
PubChem CID70257294
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name1-[2-(2-hydroxypropoxy)-3-propan-2-ylphenoxy]propan-2-ol
SMILESCC(O)COc1cccc(C(C)C)c1OCC(C)O
InChIInChI=1S/C15H24O4/c1-10(2)13-6-5-7-14(18-8-11(3)16)15(13)19-9-12(4)17/h5-7,10-12,16-17H,8-9H2,1-4H3
InChIKeyOCYZKNUTCVADPD-UHFFFAOYSA-N
XLogP2.33
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol
CID 19774059
1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol
CID 139797710
1-ethoxy-5-propan-2-ylnaphthalene
CID 176668059
1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol
CID 14692873
1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881141
3-ethoxy-2-(2-hydroxypropoxy)benzoic acid
CID 60884976
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol
CID 63057467
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
1-[2-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 60882508
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropoxy)-3-propan-2-ylphenoxy]propan-2-ol?
The IUPAC name of 1-[2-(2-hydroxypropoxy)-3-propan-2-ylphenoxy]propan-2-ol (CID 70257294) is 1-[2-(2-hydroxypropoxy)-3-propan-2-ylphenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-(2-hydroxypropoxy)-3-propan-2-ylphenoxy]propan-2-ol?
The canonical SMILES for 1-[2-(2-hydroxypropoxy)-3-propan-2-ylphenoxy]propan-2-ol is CC(O)COc1cccc(C(C)C)c1OCC(C)O.
What is the InChIKey of 1-[2-(2-hydroxypropoxy)-3-propan-2-ylphenoxy]propan-2-ol?
The InChIKey is OCYZKNUTCVADPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-10(2)13-6-5-7-14(18-8-11(3)16)15(13)19-9-12(4)17/h5-7,10-12,16-17H,8-9H2,1-4H3.
What are the key properties of 1-[2-(2-hydroxypropoxy)-3-propan-2-ylphenoxy]propan-2-ol?
1-[2-(2-hydroxypropoxy)-3-propan-2-ylphenoxy]propan-2-ol has a molecular weight of 268.35 g/mol, XLogP of 2.33, 7 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-propan-2-ylphenoxy]propan-2-ol is sourced from PubChem (CID 70257294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).