4-methyl-1-(2-propan-2-yloxyphenoxy)pentan-2-ol

C15H24O3 — CID 58044485

IUPAC4-methyl-1-(2-propan-2-yloxyphenoxy)pentan-2-ol
SMILESCC(C)CC(O)COc1ccccc1OC(C)C
InChIInChI=1S/C15H24O3/c1-11(2)9-13(16)10-17-14-7-5-6-8-15(14)18-12(3)4/h5-8,11-13,16H,9-10H2,1-4H3
InChIKeyZBTUKAOAKVCIDZ-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.26
Rot. Bonds7

About 4-methyl-1-(2-propan-2-yloxyphenoxy)pentan-2-ol

4-methyl-1-(2-propan-2-yloxyphenoxy)pentan-2-ol (PubChem CID 58044485) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 4-methyl-1-(2-propan-2-yloxyphenoxy)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-(2-propan-2-yloxyphenoxy)pentan-2-ol
PubChem CID58044485
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name4-methyl-1-(2-propan-2-yloxyphenoxy)pentan-2-ol
SMILESCC(C)CC(O)COc1ccccc1OC(C)C
InChIInChI=1S/C15H24O3/c1-11(2)9-13(16)10-17-14-7-5-6-8-15(14)18-12(3)4/h5-8,11-13,16H,9-10H2,1-4H3
InChIKeyZBTUKAOAKVCIDZ-UHFFFAOYSA-N
XLogP3.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60902172
1-(4-fluorophenoxy)-4-methylpentan-2-ol
CID 117241745
1-(2-ethoxyphenoxy)butan-2-ol
CID 60878017
2-[2-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]propoxy]benzonitrile
CID 107152676
1-[(1,1-dimethyl-2,3-dihydroinden-4-yl)oxy]-4-methylpentan-2-ol
CID 70500215
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2915985
3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol
CID 24843324
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
1-(2-chlorophenoxy)-5-methylhexane-2,3-diol
CID 118334255
4-(2-propan-2-yloxyphenoxy)butan-1-amine
CID 164512443
1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol
CID 62269721

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-propan-2-yloxyphenoxy)pentan-2-ol?
The IUPAC name of 4-methyl-1-(2-propan-2-yloxyphenoxy)pentan-2-ol (CID 58044485) is 4-methyl-1-(2-propan-2-yloxyphenoxy)pentan-2-ol.
What is the SMILES notation for 4-methyl-1-(2-propan-2-yloxyphenoxy)pentan-2-ol?
The canonical SMILES for 4-methyl-1-(2-propan-2-yloxyphenoxy)pentan-2-ol is CC(C)CC(O)COc1ccccc1OC(C)C.
What is the InChIKey of 4-methyl-1-(2-propan-2-yloxyphenoxy)pentan-2-ol?
The InChIKey is ZBTUKAOAKVCIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-11(2)9-13(16)10-17-14-7-5-6-8-15(14)18-12(3)4/h5-8,11-13,16H,9-10H2,1-4H3.
What are the key properties of 4-methyl-1-(2-propan-2-yloxyphenoxy)pentan-2-ol?
4-methyl-1-(2-propan-2-yloxyphenoxy)pentan-2-ol has a molecular weight of 252.35 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-propan-2-yloxyphenoxy)pentan-2-ol is sourced from PubChem (CID 58044485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).