1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C14H18O — CID 165345844

IUPAC1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCCc1cc2c(cc1C(C)=O)CCCC2
InChIInChI=1S/C14H18O/c1-3-11-8-12-6-4-5-7-13(12)9-14(11)10(2)15/h8-9H,3-7H2,1-2H3
InChIKeyDHKVMFYQCIDERZ-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.33
Rot. Bonds2

About 1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 165345844) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID165345844
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCCc1cc2c(cc1C(C)=O)CCCC2
InChIInChI=1S/C14H18O/c1-3-11-8-12-6-4-5-7-13(12)9-14(11)10(2)15/h8-9H,3-7H2,1-2H3
InChIKeyDHKVMFYQCIDERZ-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 83988269
1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone
CID 58928828
1-(3-ethyl-5,5,6,6-tetramethyl-7,8-dihydronaphthalen-2-yl)ethanone
CID 70116612
1-(3-prop-2-enoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 14147378
3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522519
2-amino-1-(19-ethyl-7-tricyclo[12.2.2.26,9]icosa-1(17),6(20),7,9(19),14(18),15-hexaenyl)ethanone
CID 170860587
5-ethyl-6-(fluoromethyl)-2,3-dihydro-1H-indene
CID 170343572
3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate
CID 10611493
1-(4-chloro-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)ethanone
CID 84700903
(4-acetyl-3-ethylphenyl) hypofluorite
CID 153392017
5-ethyl-1,2,3,4-tetrahydroanthracene
CID 141269354
1-(3-ethylazulen-1-yl)ethanone
CID 15255142

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 165345844) is 1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is CCc1cc2c(cc1C(C)=O)CCCC2.
What is the InChIKey of 1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is DHKVMFYQCIDERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-3-11-8-12-6-4-5-7-13(12)9-14(11)10(2)15/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 202.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 165345844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).