ethane;1-hydroxy-3-phenylpropan-2-one

C11H16O2 — CID 91537381

IUPACethane;1-hydroxy-3-phenylpropan-2-one
SMILESCC.O=C(CO)Cc1ccccc1
InChIInChI=1S/C9H10O2.C2H6/c10-7-9(11)6-8-4-2-1-3-5-8;1-2/h1-5,10H,6-7H2;1-2H3
InChIKeyVDXNCYGNSXZLEO-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.82
Rot. Bonds3

About ethane;1-hydroxy-3-phenylpropan-2-one

ethane;1-hydroxy-3-phenylpropan-2-one (PubChem CID 91537381) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is ethane;1-hydroxy-3-phenylpropan-2-one.

Molecular Properties

Compound Nameethane;1-hydroxy-3-phenylpropan-2-one
PubChem CID91537381
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Nameethane;1-hydroxy-3-phenylpropan-2-one
SMILESCC.O=C(CO)Cc1ccccc1
InChIInChI=1S/C9H10O2.C2H6/c10-7-9(11)6-8-4-2-1-3-5-8;1-2/h1-5,10H,6-7H2;1-2H3
InChIKeyVDXNCYGNSXZLEO-UHFFFAOYSA-N
XLogP1.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 100945080
1-(4-ethylphenyl)-3-hydroxypropan-2-one
CID 82280636
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CID 18435295
1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
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1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
CID 159058422
1-iodo-3-phenylpropan-2-one
CID 11425437
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CID 10035428
1-phenyldecane-2,9-dione
CID 146832793
1-phenylheptadecan-2-one
CID 12920609
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CID 21430852
1-hydroxy-3-[4-(1-hydroxy-4-phenylbutyl)phenyl]propan-2-one
CID 159570078
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CID 12071752

Frequently Asked Questions

What is the IUPAC name of ethane;1-hydroxy-3-phenylpropan-2-one?
The IUPAC name of ethane;1-hydroxy-3-phenylpropan-2-one (CID 91537381) is ethane;1-hydroxy-3-phenylpropan-2-one.
What is the SMILES notation for ethane;1-hydroxy-3-phenylpropan-2-one?
The canonical SMILES for ethane;1-hydroxy-3-phenylpropan-2-one is CC.O=C(CO)Cc1ccccc1.
What is the InChIKey of ethane;1-hydroxy-3-phenylpropan-2-one?
The InChIKey is VDXNCYGNSXZLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C2H6/c10-7-9(11)6-8-4-2-1-3-5-8;1-2/h1-5,10H,6-7H2;1-2H3.
What are the key properties of ethane;1-hydroxy-3-phenylpropan-2-one?
ethane;1-hydroxy-3-phenylpropan-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-hydroxy-3-phenylpropan-2-one is sourced from PubChem (CID 91537381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).