1-(5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-furan]-4'-yl)ethanone

C16H18O2 — CID 101125513

IUPAC1-(5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-furan]-4'-yl)ethanone
SMILESCC(=O)C1=C(C)OC2(CCCc3ccccc32)C1
InChIInChI=1S/C16H18O2/c1-11(17)14-10-16(18-12(14)2)9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8H,5,7,9-10H2,1-2H3
InChIKeyPRIMJUNMCUMQPW-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.50
Rot. Bonds1

About 1-(5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-furan]-4'-yl)ethanone

1-(5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-furan]-4'-yl)ethanone (PubChem CID 101125513) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-furan]-4'-yl)ethanone.

Molecular Properties

Compound Name1-(5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-furan]-4'-yl)ethanone
PubChem CID101125513
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name1-(5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-furan]-4'-yl)ethanone
SMILESCC(=O)C1=C(C)OC2(CCCc3ccccc32)C1
InChIInChI=1S/C16H18O2/c1-11(17)14-10-16(18-12(14)2)9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8H,5,7,9-10H2,1-2H3
InChIKeyPRIMJUNMCUMQPW-UHFFFAOYSA-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

(4R)-4'-ethylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-pyran]-6'-one
CID 16726697
(1S)-1-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 67733183
1-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 114989948
4'-hydroxy-5'-(5-methyl-2-propan-2-ylphenyl)sulfanylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-pyran]-6'-one
CID 54708501
[1-(methylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 61054317
ethyl (1S)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 155818705
spiro[1,2-dihydroindene-3,2'-oxetane]
CID 84618292
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
5-ethoxy-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 115590590
1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 114991852
1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride
CID 50988473

Frequently Asked Questions

What is the IUPAC name of 1-(5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-furan]-4'-yl)ethanone?
The IUPAC name of 1-(5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-furan]-4'-yl)ethanone (CID 101125513) is 1-(5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-furan]-4'-yl)ethanone.
What is the SMILES notation for 1-(5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-furan]-4'-yl)ethanone?
The canonical SMILES for 1-(5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-furan]-4'-yl)ethanone is CC(=O)C1=C(C)OC2(CCCc3ccccc32)C1.
What is the InChIKey of 1-(5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-furan]-4'-yl)ethanone?
The InChIKey is PRIMJUNMCUMQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-11(17)14-10-16(18-12(14)2)9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8H,5,7,9-10H2,1-2H3.
What are the key properties of 1-(5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-furan]-4'-yl)ethanone?
1-(5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-furan]-4'-yl)ethanone 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 1-(5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-3H-furan]-4'-yl)ethanone is sourced from PubChem (CID 101125513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).