1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one

C13H16O — CID 14994244

IUPAC1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one
SMILESCCC(=O)c1cccc2c1CCCC2
InChIInChI=1S/C13H16O/c1-2-13(14)12-9-5-7-10-6-3-4-8-11(10)12/h5,7,9H,2-4,6,8H2,1H3
InChIKeyGHHKIYATZAGODA-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.16
Rot. Bonds2

About 1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one

1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one (PubChem CID 14994244) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one
PubChem CID14994244
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one
SMILESCCC(=O)c1cccc2c1CCCC2
InChIInChI=1S/C13H16O/c1-2-13(14)12-9-5-7-10-6-3-4-8-11(10)12/h5,7,9H,2-4,6,8H2,1H3
InChIKeyGHHKIYATZAGODA-UHFFFAOYSA-N
XLogP3.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 2,3-dihydro-1H-indene-4-carboxylate
CID 10888742
1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one
CID 54473836
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874
2,2-dibromo-1-(2,3-dihydro-1H-inden-4-yl)ethanone
CID 87520921
1-(3-amino-2,3-dihydro-1H-inden-4-yl)propan-1-one
CID 57180230
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
N,N-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 19804
2-propanoyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104557204
N-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 97455792
2-ethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 16545688
2-ethylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 8795745
2-(2,3-dihydro-1H-inden-4-yl)acetic acid
CID 15212214

Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one?
The IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one (CID 14994244) is 1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one.
What is the SMILES notation for 1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one?
The canonical SMILES for 1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one is CCC(=O)c1cccc2c1CCCC2.
What is the InChIKey of 1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one?
The InChIKey is GHHKIYATZAGODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-2-13(14)12-9-5-7-10-6-3-4-8-11(10)12/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of 1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one?
1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one has a molecular weight of 188.27 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one is sourced from PubChem (CID 14994244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).