1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)-3-methylphenyl]ethanone

C15H22O4 — CID 112705150

IUPAC1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)-3-methylphenyl]ethanone
SMILESCC(=O)c1ccc(OCC(O)COC(C)C)c(C)c1
InChIInChI=1S/C15H22O4/c1-10(2)18-8-14(17)9-19-15-6-5-13(12(4)16)7-11(15)3/h5-7,10,14,17H,8-9H2,1-4H3
InChIKeyJLDFYVOKWUOEMN-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.36
Rot. Bonds7

About 1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)-3-methylphenyl]ethanone

1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)-3-methylphenyl]ethanone (PubChem CID 112705150) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)-3-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)-3-methylphenyl]ethanone
PubChem CID112705150
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)-3-methylphenyl]ethanone
SMILESCC(=O)c1ccc(OCC(O)COC(C)C)c(C)c1
InChIInChI=1S/C15H22O4/c1-10(2)18-8-14(17)9-19-15-6-5-13(12(4)16)7-11(15)3/h5-7,10,14,17H,8-9H2,1-4H3
InChIKeyJLDFYVOKWUOEMN-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-[4-(2-hydroxy-3-methoxypropoxy)-3-methylphenyl]ethanone
CID 112568355
1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone
CID 63988643
1-[5-bromo-2-(2-hydroxy-3-propan-2-yloxypropoxy)phenyl]ethanone
CID 63988848
1-[3-methyl-4-(3-methylbutoxy)phenyl]ethanone
CID 91636342
4-(2,3-dihydroxypropoxy)-3-methylbenzoic acid
CID 107673437
1-[4-[(2S)-2-hydroxy-3-[4-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperazine-1,4-diium-1-yl]propoxy]phenyl]ethanone
CID 7414829
1-[3-chloro-4-(3-ethoxy-2-hydroxypropoxy)phenyl]ethanone
CID 113389865
1-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-3-propan-2-yloxypropan-2-ol
CID 63988845
(2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 97085392
2,2,2-trifluoro-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 91656792
1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone
CID 112548755
1-[4-bromo-2-(1-hydroxyethyl)phenoxy]-3-propan-2-yloxypropan-2-ol
CID 63987177

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)-3-methylphenyl]ethanone?
The IUPAC name of 1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)-3-methylphenyl]ethanone (CID 112705150) is 1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)-3-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)-3-methylphenyl]ethanone?
The canonical SMILES for 1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)-3-methylphenyl]ethanone is CC(=O)c1ccc(OCC(O)COC(C)C)c(C)c1.
What is the InChIKey of 1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)-3-methylphenyl]ethanone?
The InChIKey is JLDFYVOKWUOEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-10(2)18-8-14(17)9-19-15-6-5-13(12(4)16)7-11(15)3/h5-7,10,14,17H,8-9H2,1-4H3.
What are the key properties of 1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)-3-methylphenyl]ethanone?
1-[4-(2-hydroxy-3-propan-2-yloxypropoxy)-3-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-[4-(2-hydroxy-3-propan-2-yloxypropoxy)-3-methylphenyl]ethanone is sourced from PubChem (CID 112705150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).