4-methyl-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-furan-5-one

C15H16O2 — CID 90721779

IUPAC4-methyl-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-furan-5-one
SMILESCC1=CC([C@@H]2CCCc3ccccc32)OC1=O
InChIInChI=1S/C15H16O2/c1-10-9-14(17-15(10)16)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,9,13-14H,4,6,8H2,1H3/t13-,14?/m1/s1
InChIKeyPFEMFHJXGOBGOB-KWCCSABGSA-N
MW228.29 g/mol
LogP2.98
Rot. Bonds1

About 4-methyl-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-furan-5-one

4-methyl-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-furan-5-one (PubChem CID 90721779) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-methyl-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-furan-5-one.

Molecular Properties

Compound Name4-methyl-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-furan-5-one
PubChem CID90721779
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name4-methyl-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-furan-5-one
SMILESCC1=CC([C@@H]2CCCc3ccccc32)OC1=O
InChIInChI=1S/C15H16O2/c1-10-9-14(17-15(10)16)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,9,13-14H,4,6,8H2,1H3/t13-,14?/m1/s1
InChIKeyPFEMFHJXGOBGOB-KWCCSABGSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (E)-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enoate
CID 142304687
3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,2-oxazole
CID 118654545
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrochromen-4-one
CID 90717668
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 22102285
(2R,6S)-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-4-one
CID 154716882
1-tert-butyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 23542126
1-cyclopentyl-1,2,3,4-tetrahydronaphthalene;pentane
CID 158506578
5,6a,7,8,9,10,10a,10b,11,12-decahydro-4bH-chrysen-6-one
CID 89471715
1-cyclohex-2-en-1-yl-1,2,3,4-tetrahydronaphthalene
CID 123727569
2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
CID 13350945
ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 144973609
(3S,3aR,9bR)-3-methyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2-one
CID 10726799

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-furan-5-one?
The IUPAC name of 4-methyl-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-furan-5-one (CID 90721779) is 4-methyl-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-furan-5-one.
What is the SMILES notation for 4-methyl-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-furan-5-one?
The canonical SMILES for 4-methyl-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-furan-5-one is CC1=CC([C@@H]2CCCc3ccccc32)OC1=O.
What is the InChIKey of 4-methyl-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-furan-5-one?
The InChIKey is PFEMFHJXGOBGOB-KWCCSABGSA-N. The full InChI is InChI=1S/C15H16O2/c1-10-9-14(17-15(10)16)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,9,13-14H,4,6,8H2,1H3/t13-,14?/m1/s1.
What are the key properties of 4-methyl-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-furan-5-one?
4-methyl-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-furan-5-one has a molecular weight of 228.29 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-furan-5-one is sourced from PubChem (CID 90721779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).