1-[3-[(1R)-1,2-dihydroxyethyl]phenyl]ethanone

C10H12O3 — CID 59296755

IUPAC1-[3-[(1R)-1,2-dihydroxyethyl]phenyl]ethanone
SMILESCC(=O)c1cccc([C@@H](O)CO)c1
InChIInChI=1S/C10H12O3/c1-7(12)8-3-2-4-9(5-8)10(13)6-11/h2-5,10-11,13H,6H2,1H3/t10-/m0/s1
InChIKeyIYBBCIHVMPVXDA-JTQLQIEISA-N
MW180.20 g/mol
LogP0.91
Rot. Bonds3

About 1-[3-[(1R)-1,2-dihydroxyethyl]phenyl]ethanone

1-[3-[(1R)-1,2-dihydroxyethyl]phenyl]ethanone (PubChem CID 59296755) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 1-[3-[(1R)-1,2-dihydroxyethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(1R)-1,2-dihydroxyethyl]phenyl]ethanone
PubChem CID59296755
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name1-[3-[(1R)-1,2-dihydroxyethyl]phenyl]ethanone
SMILESCC(=O)c1cccc([C@@H](O)CO)c1
InChIInChI=1S/C10H12O3/c1-7(12)8-3-2-4-9(5-8)10(13)6-11/h2-5,10-11,13H,6H2,1H3/t10-/m0/s1
InChIKeyIYBBCIHVMPVXDA-JTQLQIEISA-N
XLogP0.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1R)-1,2-dihydroxyethyl]phenyl]ethanone?
The IUPAC name of 1-[3-[(1R)-1,2-dihydroxyethyl]phenyl]ethanone (CID 59296755) is 1-[3-[(1R)-1,2-dihydroxyethyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(1R)-1,2-dihydroxyethyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[(1R)-1,2-dihydroxyethyl]phenyl]ethanone is CC(=O)c1cccc([C@@H](O)CO)c1.
What is the InChIKey of 1-[3-[(1R)-1,2-dihydroxyethyl]phenyl]ethanone?
The InChIKey is IYBBCIHVMPVXDA-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12O3/c1-7(12)8-3-2-4-9(5-8)10(13)6-11/h2-5,10-11,13H,6H2,1H3/t10-/m0/s1.
What are the key properties of 1-[3-[(1R)-1,2-dihydroxyethyl]phenyl]ethanone?
1-[3-[(1R)-1,2-dihydroxyethyl]phenyl]ethanone has a molecular weight of 180.20 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1R)-1,2-dihydroxyethyl]phenyl]ethanone is sourced from PubChem (CID 59296755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).