(1R,3R,4R)-1,4,8-trihydroxy-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-furan]-2'-one

C14H14O5 — CID 24970871

IUPAC(1R,3R,4R)-1,4,8-trihydroxy-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-furan]-2'-one
SMILESCC1=C[C@@]2(C[C@@H](O)c3c(O)cccc3[C@H]2O)OC1=O
InChIInChI=1S/C14H14O5/c1-7-5-14(19-13(7)18)6-10(16)11-8(12(14)17)3-2-4-9(11)15/h2-5,10,12,15-17H,6H2,1H3/t10-,12-,14+/m1/s1
InChIKeyYGLRNYJGBGOMKF-QKCSRTOESA-N
MW262.26 g/mol
LogP1.10
Rot. Bonds

About (1R,3R,4R)-1,4,8-trihydroxy-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-furan]-2'-one

(1R,3R,4R)-1,4,8-trihydroxy-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-furan]-2'-one (PubChem CID 24970871) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is (1R,3R,4R)-1,4,8-trihydroxy-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-furan]-2'-one.

Molecular Properties

Compound Name(1R,3R,4R)-1,4,8-trihydroxy-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-furan]-2'-one
PubChem CID24970871
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name(1R,3R,4R)-1,4,8-trihydroxy-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-furan]-2'-one
SMILESCC1=C[C@@]2(C[C@@H](O)c3c(O)cccc3[C@H]2O)OC1=O
InChIInChI=1S/C14H14O5/c1-7-5-14(19-13(7)18)6-10(16)11-8(12(14)17)3-2-4-9(11)15/h2-5,10,12,15-17H,6H2,1H3/t10-,12-,14+/m1/s1
InChIKeyYGLRNYJGBGOMKF-QKCSRTOESA-N
XLogP1.10
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1R,3R,4R)-1,4,8-trihydroxy-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-furan]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,3R,4R)-1,4,8-trihydroxyspiro[2,4-dihydro-1H-naphthalene-3,5'-furan]-2'-one
CID 102410271
(4R)-2,2-diethyl-3,4-dihydrochromen-4-ol
CID 104950045
(4S)-4,5-dihydroxy-8-[(1R)-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-one
CID 11198523
4-methoxy-3',4,6b-trimethylspiro[1a,2,3a,5,6,6a-hexahydroindeno[4,5-b]oxirene-3,5'-furan]-2'-one
CID 163113958
(1aR,3S,3aR,4R,6aS,6bS)-4-methoxy-3',4,6b-trimethylspiro[1a,2,3a,5,6,6a-hexahydroindeno[4,5-b]oxirene-3,5'-furan]-2'-one
CID 163113959
spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol
CID 82045927
(2S,4S)-2,4,5-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 23258848
(2S,4R)-2,4,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 11275563
(4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol
CID 104980282
(1S,2R,10R,11S,13R)-2,7,10-trihydroxy-11-methyl-12,16-dioxatetracyclo[11.3.1.01,10.03,8]heptadeca-3(8),4,6-triene-9,15-dione
CID 53483701
(4S)-4-amino-2,2-dimethyl-3,4-dihydrochromen-8-ol
CID 130778486
(1R,2R,4S)-2-ethyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid
CID 90657197

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R)-1,4,8-trihydroxy-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-furan]-2'-one?
The IUPAC name of (1R,3R,4R)-1,4,8-trihydroxy-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-furan]-2'-one (CID 24970871) is (1R,3R,4R)-1,4,8-trihydroxy-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-furan]-2'-one.
What is the SMILES notation for (1R,3R,4R)-1,4,8-trihydroxy-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-furan]-2'-one?
The canonical SMILES for (1R,3R,4R)-1,4,8-trihydroxy-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-furan]-2'-one is CC1=C[C@@]2(C[C@@H](O)c3c(O)cccc3[C@H]2O)OC1=O.
What is the InChIKey of (1R,3R,4R)-1,4,8-trihydroxy-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-furan]-2'-one?
The InChIKey is YGLRNYJGBGOMKF-QKCSRTOESA-N. The full InChI is InChI=1S/C14H14O5/c1-7-5-14(19-13(7)18)6-10(16)11-8(12(14)17)3-2-4-9(11)15/h2-5,10,12,15-17H,6H2,1H3/t10-,12-,14+/m1/s1.
What are the key properties of (1R,3R,4R)-1,4,8-trihydroxy-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-furan]-2'-one?
(1R,3R,4R)-1,4,8-trihydroxy-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-furan]-2'-one has a molecular weight of 262.26 g/mol, XLogP of 1.10, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R)-1,4,8-trihydroxy-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-furan]-2'-one is sourced from PubChem (CID 24970871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).