(4R)-4'-ethylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-pyran]-6'-one

C16H18O2 — CID 16726697

IUPAC(4R)-4'-ethylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-pyran]-6'-one
SMILESCCC1=CC(=O)O[C@]2(CCCc3ccccc32)C1
InChIInChI=1S/C16H18O2/c1-2-12-10-15(17)18-16(11-12)9-5-7-13-6-3-4-8-14(13)16/h3-4,6,8,10H,2,5,7,9,11H2,1H3/t16-/m1/s1
InChIKeyNHYSNHFGEKHECQ-MRXNPFEDSA-N
MW242.32 g/mol
LogP3.50
Rot. Bonds1

About (4R)-4'-ethylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-pyran]-6'-one

(4R)-4'-ethylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-pyran]-6'-one (PubChem CID 16726697) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (4R)-4'-ethylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-pyran]-6'-one.

Molecular Properties

Compound Name(4R)-4'-ethylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-pyran]-6'-one
PubChem CID16726697
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name(4R)-4'-ethylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-pyran]-6'-one
SMILESCCC1=CC(=O)O[C@]2(CCCc3ccccc32)C1
InChIInChI=1S/C16H18O2/c1-2-12-10-15(17)18-16(11-12)9-5-7-13-6-3-4-8-14(13)16/h3-4,6,8,10H,2,5,7,9,11H2,1H3/t16-/m1/s1
InChIKeyNHYSNHFGEKHECQ-MRXNPFEDSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-furan]-4'-yl)ethanone
CID 101125513
4,4-diethyl-2,3-dihydro-1H-naphthalene
CID 520431
(2S,5S)-5-methylspiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-naphthalene]-4-one
CID 14546289
4'-hydroxy-5'-(5-methyl-2-propan-2-ylphenyl)sulfanylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-pyran]-6'-one
CID 54708501
(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 66059601
spiro[2,3-dihydro-1H-naphthalene-4,3'-2-benzofuran]-1'-one
CID 19904308
[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl-trimethylsilane
CID 106324106
[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 63521983
(1S)-1-propyl-3,4-dihydro-2H-naphthalene-1-carbaldehyde
CID 14963826
1-pentyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 63402868
6'-ethylspiro[1,2-dihydroindene-3,2'-morpholine]
CID 65122572
spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 4230334

Frequently Asked Questions

What is the IUPAC name of (4R)-4'-ethylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-pyran]-6'-one?
The IUPAC name of (4R)-4'-ethylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-pyran]-6'-one (CID 16726697) is (4R)-4'-ethylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-pyran]-6'-one.
What is the SMILES notation for (4R)-4'-ethylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-pyran]-6'-one?
The canonical SMILES for (4R)-4'-ethylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-pyran]-6'-one is CCC1=CC(=O)O[C@]2(CCCc3ccccc32)C1.
What is the InChIKey of (4R)-4'-ethylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-pyran]-6'-one?
The InChIKey is NHYSNHFGEKHECQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18O2/c1-2-12-10-15(17)18-16(11-12)9-5-7-13-6-3-4-8-14(13)16/h3-4,6,8,10H,2,5,7,9,11H2,1H3/t16-/m1/s1.
What are the key properties of (4R)-4'-ethylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-pyran]-6'-one?
(4R)-4'-ethylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-pyran]-6'-one has a molecular weight of 242.32 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4'-ethylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-pyran]-6'-one is sourced from PubChem (CID 16726697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).