1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone

C15H22O4 — CID 63988643

IUPAC1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone
SMILESCC(=O)c1cc(C)ccc1OCC(O)COC(C)C
InChIInChI=1S/C15H22O4/c1-10(2)18-8-13(17)9-19-15-6-5-11(3)7-14(15)12(4)16/h5-7,10,13,17H,8-9H2,1-4H3
InChIKeyGGIXXRXJZSWZHR-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.36
Rot. Bonds7

About 1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone

1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone (PubChem CID 63988643) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone
PubChem CID63988643
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone
SMILESCC(=O)c1cc(C)ccc1OCC(O)COC(C)C
InChIInChI=1S/C15H22O4/c1-10(2)18-8-13(17)9-19-15-6-5-11(3)7-14(15)12(4)16/h5-7,10,13,17H,8-9H2,1-4H3
InChIKeyGGIXXRXJZSWZHR-UHFFFAOYSA-N
XLogP2.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-bromo-2-(2-hydroxy-3-propan-2-yloxypropoxy)phenyl]ethanone
CID 63988848
1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)-3-methylphenyl]ethanone
CID 112705150
1-[5-methyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]ethanone
CID 63902310
1-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-3-propan-2-yloxypropan-2-ol
CID 63988845
1-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]-3-propan-2-yloxypropan-2-ol
CID 63988007
propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate
CID 54942552
1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone
CID 63651270
1-[2-(3-amino-2-hydroxypropoxy)-5-propan-2-ylphenyl]ethanone
CID 10377479
1-[5-bromo-2-(3-ethoxy-2-hydroxypropoxy)phenyl]ethanone
CID 63931560
4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid
CID 107014327
1-[2-(4-bromobutoxy)-5-methylphenyl]ethanone
CID 43504846
2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide
CID 43388654

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone?
The IUPAC name of 1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone (CID 63988643) is 1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone.
What is the SMILES notation for 1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone?
The canonical SMILES for 1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone is CC(=O)c1cc(C)ccc1OCC(O)COC(C)C.
What is the InChIKey of 1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone?
The InChIKey is GGIXXRXJZSWZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-10(2)18-8-13(17)9-19-15-6-5-11(3)7-14(15)12(4)16/h5-7,10,13,17H,8-9H2,1-4H3.
What are the key properties of 1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone?
1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone has a molecular weight of 266.34 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone is sourced from PubChem (CID 63988643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).