2-hydroxy-1-(4-hydroxy-3-propylphenyl)-2-methylpropan-1-one

C13H18O3 — CID 19835265

IUPAC2-hydroxy-1-(4-hydroxy-3-propylphenyl)-2-methylpropan-1-one
SMILESCCCc1cc(C(=O)C(C)(C)O)ccc1O
InChIInChI=1S/C13H18O3/c1-4-5-9-8-10(6-7-11(9)14)12(15)13(2,3)16/h6-8,14,16H,4-5H2,1-3H3
InChIKeyKNYWRLIRHSRSPP-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.30
Rot. Bonds4

About 2-hydroxy-1-(4-hydroxy-3-propylphenyl)-2-methylpropan-1-one

2-hydroxy-1-(4-hydroxy-3-propylphenyl)-2-methylpropan-1-one (PubChem CID 19835265) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-hydroxy-1-(4-hydroxy-3-propylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(4-hydroxy-3-propylphenyl)-2-methylpropan-1-one
PubChem CID19835265
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-hydroxy-1-(4-hydroxy-3-propylphenyl)-2-methylpropan-1-one
SMILESCCCc1cc(C(=O)C(C)(C)O)ccc1O
InChIInChI=1S/C13H18O3/c1-4-5-9-8-10(6-7-11(9)14)12(15)13(2,3)16/h6-8,14,16H,4-5H2,1-3H3
InChIKeyKNYWRLIRHSRSPP-UHFFFAOYSA-N
XLogP2.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-hydroxy-3-propylphenyl)-2-methylpropan-1-one?
The IUPAC name of 2-hydroxy-1-(4-hydroxy-3-propylphenyl)-2-methylpropan-1-one (CID 19835265) is 2-hydroxy-1-(4-hydroxy-3-propylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1-(4-hydroxy-3-propylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 2-hydroxy-1-(4-hydroxy-3-propylphenyl)-2-methylpropan-1-one is CCCc1cc(C(=O)C(C)(C)O)ccc1O.
What is the InChIKey of 2-hydroxy-1-(4-hydroxy-3-propylphenyl)-2-methylpropan-1-one?
The InChIKey is KNYWRLIRHSRSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-5-9-8-10(6-7-11(9)14)12(15)13(2,3)16/h6-8,14,16H,4-5H2,1-3H3.
What are the key properties of 2-hydroxy-1-(4-hydroxy-3-propylphenyl)-2-methylpropan-1-one?
2-hydroxy-1-(4-hydroxy-3-propylphenyl)-2-methylpropan-1-one has a molecular weight of 222.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-hydroxy-3-propylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 19835265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).