2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenone

C12H12O — CID 154243339

IUPAC2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenone
SMILESO=C=CC1CCCc2ccccc21
InChIInChI=1S/C12H12O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-2,4,7-8,11H,3,5-6H2
InChIKeyNPXCUUOLUNVXNX-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.49
Rot. Bonds1

About 2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenone

2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenone (PubChem CID 154243339) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenone.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenone
PubChem CID154243339
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenone
SMILESO=C=CC1CCCc2ccccc21
InChIInChI=1S/C12H12O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-2,4,7-8,11H,3,5-6H2
InChIKeyNPXCUUOLUNVXNX-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-2-nitroethenyl]-1,2,3,4-tetrahydronaphthalene
CID 70411002
[(E)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenyl] acetate
CID 68843407
(4Z)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylidene)azepane
CID 103983683
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
CID 59863888
CID 59863888
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide
CID 45098245
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropane-1-carbonitrile
CID 18975701
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,2-dioxazolidine-4,5-dione
CID 44784874
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1,2,3,4-tetrahydronaphthalene-1-sulfonyl bromide
CID 102537231
1,2,3,4-tetrahydronaphthalene-1-sulfinate
CID 68909659

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenone?
The IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenone (CID 154243339) is 2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenone.
What is the SMILES notation for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenone?
The canonical SMILES for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenone is O=C=CC1CCCc2ccccc21.
What is the InChIKey of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenone?
The InChIKey is NPXCUUOLUNVXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-2,4,7-8,11H,3,5-6H2.
What are the key properties of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenone?
2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenone has a molecular weight of 172.23 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenone is sourced from PubChem (CID 154243339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).