4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one

C13H18O3 — CID 98014339

IUPAC4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one
SMILESCC(C)Oc1ccc(C(=O)CCCO)cc1
InChIInChI=1S/C13H18O3/c1-10(2)16-12-7-5-11(6-8-12)13(15)4-3-9-14/h5-8,10,14H,3-4,9H2,1-2H3
InChIKeyJPAKAFNCHOPEAS-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.43
Rot. Bonds6

About 4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one

4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one (PubChem CID 98014339) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one
PubChem CID98014339
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one
SMILESCC(C)Oc1ccc(C(=O)CCCO)cc1
InChIInChI=1S/C13H18O3/c1-10(2)16-12-7-5-11(6-8-12)13(15)4-3-9-14/h5-8,10,14H,3-4,9H2,1-2H3
InChIKeyJPAKAFNCHOPEAS-UHFFFAOYSA-N
XLogP2.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 2170743
4-amino-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 82341479
4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 105097430
ethyl 7-oxo-7-(4-propan-2-yloxyphenyl)heptanoate
CID 24727573
3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 105097425
5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 116607520
1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one
CID 105097435
N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide
CID 106843629
dimethyl-[2-oxo-2-(4-propan-2-yloxyphenyl)ethyl]sulfanium
CID 139727794
4-hydroxy-1-(4-phenoxyphenyl)butan-1-one
CID 98016741
3-amino-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 81463114
tris[2-oxo-2-(4-propan-2-yloxyphenyl)ethyl] phosphate
CID 139615221

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one?
The IUPAC name of 4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one (CID 98014339) is 4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one.
What is the SMILES notation for 4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one?
The canonical SMILES for 4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one is CC(C)Oc1ccc(C(=O)CCCO)cc1.
What is the InChIKey of 4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one?
The InChIKey is JPAKAFNCHOPEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-10(2)16-12-7-5-11(6-8-12)13(15)4-3-9-14/h5-8,10,14H,3-4,9H2,1-2H3.
What are the key properties of 4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one?
4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one has a molecular weight of 222.28 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one is sourced from PubChem (CID 98014339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).