1-(2,3-dihydronaphthalen-1-yl)-2-hydroxyethanone

C12H12O2 — CID 134884399

IUPAC1-(2,3-dihydronaphthalen-1-yl)-2-hydroxyethanone
SMILESO=C(CO)C1=c2ccccc2=CCC1
InChIInChI=1S/C12H12O2/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4-6,13H,3,7-8H2
InChIKeyOCZBGHYAIOVYAX-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.03
Rot. Bonds2

About 1-(2,3-dihydronaphthalen-1-yl)-2-hydroxyethanone

1-(2,3-dihydronaphthalen-1-yl)-2-hydroxyethanone (PubChem CID 134884399) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(2,3-dihydronaphthalen-1-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(2,3-dihydronaphthalen-1-yl)-2-hydroxyethanone
PubChem CID134884399
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name1-(2,3-dihydronaphthalen-1-yl)-2-hydroxyethanone
SMILESO=C(CO)C1=c2ccccc2=CCC1
InChIInChI=1S/C12H12O2/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4-6,13H,3,7-8H2
InChIKeyOCZBGHYAIOVYAX-UHFFFAOYSA-N
XLogP-0.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydronaphthalen-1-yl)-2-hydroxyethanone?
The IUPAC name of 1-(2,3-dihydronaphthalen-1-yl)-2-hydroxyethanone (CID 134884399) is 1-(2,3-dihydronaphthalen-1-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(2,3-dihydronaphthalen-1-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(2,3-dihydronaphthalen-1-yl)-2-hydroxyethanone is O=C(CO)C1=c2ccccc2=CCC1.
What is the InChIKey of 1-(2,3-dihydronaphthalen-1-yl)-2-hydroxyethanone?
The InChIKey is OCZBGHYAIOVYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4-6,13H,3,7-8H2.
What are the key properties of 1-(2,3-dihydronaphthalen-1-yl)-2-hydroxyethanone?
1-(2,3-dihydronaphthalen-1-yl)-2-hydroxyethanone has a molecular weight of 188.23 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydronaphthalen-1-yl)-2-hydroxyethanone is sourced from PubChem (CID 134884399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).