1-hydroxy-3-(oxan-4-yl)-1-phenylpropan-2-one

C14H18O3 — CID 103458193

IUPAC1-hydroxy-3-(oxan-4-yl)-1-phenylpropan-2-one
SMILESO=C(CC1CCOCC1)C(O)c1ccccc1
InChIInChI=1S/C14H18O3/c15-13(10-11-6-8-17-9-7-11)14(16)12-4-2-1-3-5-12/h1-5,11,14,16H,6-10H2
InChIKeyCCTAMDRMQDKWKK-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.11
Rot. Bonds4

About 1-hydroxy-3-(oxan-4-yl)-1-phenylpropan-2-one

1-hydroxy-3-(oxan-4-yl)-1-phenylpropan-2-one (PubChem CID 103458193) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-hydroxy-3-(oxan-4-yl)-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-hydroxy-3-(oxan-4-yl)-1-phenylpropan-2-one
PubChem CID103458193
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name1-hydroxy-3-(oxan-4-yl)-1-phenylpropan-2-one
SMILESO=C(CC1CCOCC1)C(O)c1ccccc1
InChIInChI=1S/C14H18O3/c15-13(10-11-6-8-17-9-7-11)14(16)12-4-2-1-3-5-12/h1-5,11,14,16H,6-10H2
InChIKeyCCTAMDRMQDKWKK-UHFFFAOYSA-N
XLogP2.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(oxan-4-yl)-1-phenylpropan-2-one?
The IUPAC name of 1-hydroxy-3-(oxan-4-yl)-1-phenylpropan-2-one (CID 103458193) is 1-hydroxy-3-(oxan-4-yl)-1-phenylpropan-2-one.
What is the SMILES notation for 1-hydroxy-3-(oxan-4-yl)-1-phenylpropan-2-one?
The canonical SMILES for 1-hydroxy-3-(oxan-4-yl)-1-phenylpropan-2-one is O=C(CC1CCOCC1)C(O)c1ccccc1.
What is the InChIKey of 1-hydroxy-3-(oxan-4-yl)-1-phenylpropan-2-one?
The InChIKey is CCTAMDRMQDKWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c15-13(10-11-6-8-17-9-7-11)14(16)12-4-2-1-3-5-12/h1-5,11,14,16H,6-10H2.
What are the key properties of 1-hydroxy-3-(oxan-4-yl)-1-phenylpropan-2-one?
1-hydroxy-3-(oxan-4-yl)-1-phenylpropan-2-one has a molecular weight of 234.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(oxan-4-yl)-1-phenylpropan-2-one is sourced from PubChem (CID 103458193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).