4-ethyl-8-methyl-3,4-dihydro-2H-naphthalen-1-one

C13H16O — CID 58222648

IUPAC4-ethyl-8-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCCC1CCC(=O)c2c(C)cccc21
InChIInChI=1S/C13H16O/c1-3-10-7-8-12(14)13-9(2)5-4-6-11(10)13/h4-6,10H,3,7-8H2,1-2H3
InChIKeyHQEUUQQHAIPBEZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.47
Rot. Bonds1

About 4-ethyl-8-methyl-3,4-dihydro-2H-naphthalen-1-one

4-ethyl-8-methyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 58222648) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-ethyl-8-methyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name4-ethyl-8-methyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID58222648
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name4-ethyl-8-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCCC1CCC(=O)c2c(C)cccc21
InChIInChI=1S/C13H16O/c1-3-10-7-8-12(14)13-9(2)5-4-6-11(10)13/h4-6,10H,3,7-8H2,1-2H3
InChIKeyHQEUUQQHAIPBEZ-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-ethyl-8-methyl-2,3-dihydro-1H-cyclopenta[a]chrysene
CID 162936310
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3-[(1-methyl-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-6-yl)methyl]piperidine-2,6-dione
CID 170008593
(4S)-4-(2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 129258085
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3-hydroxy-7-methyl-2-propyl-3H-isoindol-1-one
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CID 18361946
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CID 115063778
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2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid
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(8R,10R)-8,10-difluoro-3,15-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-one
CID 10978594

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-8-methyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 4-ethyl-8-methyl-3,4-dihydro-2H-naphthalen-1-one (CID 58222648) is 4-ethyl-8-methyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 4-ethyl-8-methyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 4-ethyl-8-methyl-3,4-dihydro-2H-naphthalen-1-one is CCC1CCC(=O)c2c(C)cccc21.
What is the InChIKey of 4-ethyl-8-methyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is HQEUUQQHAIPBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-3-10-7-8-12(14)13-9(2)5-4-6-11(10)13/h4-6,10H,3,7-8H2,1-2H3.
What are the key properties of 4-ethyl-8-methyl-3,4-dihydro-2H-naphthalen-1-one?
4-ethyl-8-methyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 188.27 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-8-methyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 58222648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).