5-ethyl-3,4-dihydro-2H-naphthalen-1-one

C12H14O — CID 589817

IUPAC5-ethyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCCc1cccc2c1CCCC2=O
InChIInChI=1S/C12H14O/c1-2-9-5-3-7-11-10(9)6-4-8-12(11)13/h3,5,7H,2,4,6,8H2,1H3
InChIKeyMHRYTEWWEDEQKA-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.77
Rot. Bonds1

About 5-ethyl-3,4-dihydro-2H-naphthalen-1-one

5-ethyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 589817) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 5-ethyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-ethyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID589817
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name5-ethyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCCc1cccc2c1CCCC2=O
InChIInChI=1S/C12H14O/c1-2-9-5-3-7-11-10(9)6-4-8-12(11)13/h3,5,7H,2,4,6,8H2,1H3
InChIKeyMHRYTEWWEDEQKA-UHFFFAOYSA-N
XLogP2.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-Naphthoquinone
CID 8530
Benzophenone
CID 3102
Menadione
CID 4055
Acetophenone
CID 7410
Phylloquinone
CID 5284607
Anthraquinone
CID 6780
Vitamin K
CID 5280483
1,2-Naphthoquinone
CID 10667
Menatetrenone
CID 5282367
9,10-Phenanthrenedione
CID 6763
1-Phenyl-1-propanone
CID 7148
1-Phenyl-1,2-propanedione
CID 11363

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-ethyl-3,4-dihydro-2H-naphthalen-1-one (CID 589817) is 5-ethyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-ethyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-ethyl-3,4-dihydro-2H-naphthalen-1-one is CCc1cccc2c1CCCC2=O.
What is the InChIKey of 5-ethyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is MHRYTEWWEDEQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-2-9-5-3-7-11-10(9)6-4-8-12(11)13/h3,5,7H,2,4,6,8H2,1H3.
What are the key properties of 5-ethyl-3,4-dihydro-2H-naphthalen-1-one?
5-ethyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 174.24 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 589817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).