(3R)-3,8-dihydroxy-3-methyl-1H-isochromen-4-one

C10H10O4 — CID 139583289

IUPAC(3R)-3,8-dihydroxy-3-methyl-1H-isochromen-4-one
SMILESC[C@@]1(O)OCc2c(O)cccc2C1=O
InChIInChI=1S/C10H10O4/c1-10(13)9(12)6-3-2-4-8(11)7(6)5-14-10/h2-4,11,13H,5H2,1H3/t10-/m1/s1
InChIKeyPKYBFGVAQQQADR-SNVBAGLBSA-N
MW194.19 g/mol
LogP0.81
Rot. Bonds

About (3R)-3,8-dihydroxy-3-methyl-1H-isochromen-4-one

(3R)-3,8-dihydroxy-3-methyl-1H-isochromen-4-one (PubChem CID 139583289) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (3R)-3,8-dihydroxy-3-methyl-1H-isochromen-4-one.

Molecular Properties

Compound Name(3R)-3,8-dihydroxy-3-methyl-1H-isochromen-4-one
PubChem CID139583289
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(3R)-3,8-dihydroxy-3-methyl-1H-isochromen-4-one
SMILESC[C@@]1(O)OCc2c(O)cccc2C1=O
InChIInChI=1S/C10H10O4/c1-10(13)9(12)6-3-2-4-8(11)7(6)5-14-10/h2-4,11,13H,5H2,1H3/t10-/m1/s1
InChIKeyPKYBFGVAQQQADR-SNVBAGLBSA-N
XLogP0.81
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3,8-dihydroxy-3-methyl-1H-isochromen-4-one?
The IUPAC name of (3R)-3,8-dihydroxy-3-methyl-1H-isochromen-4-one (CID 139583289) is (3R)-3,8-dihydroxy-3-methyl-1H-isochromen-4-one.
What is the SMILES notation for (3R)-3,8-dihydroxy-3-methyl-1H-isochromen-4-one?
The canonical SMILES for (3R)-3,8-dihydroxy-3-methyl-1H-isochromen-4-one is C[C@@]1(O)OCc2c(O)cccc2C1=O.
What is the InChIKey of (3R)-3,8-dihydroxy-3-methyl-1H-isochromen-4-one?
The InChIKey is PKYBFGVAQQQADR-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H10O4/c1-10(13)9(12)6-3-2-4-8(11)7(6)5-14-10/h2-4,11,13H,5H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3,8-dihydroxy-3-methyl-1H-isochromen-4-one?
(3R)-3,8-dihydroxy-3-methyl-1H-isochromen-4-one has a molecular weight of 194.19 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,8-dihydroxy-3-methyl-1H-isochromen-4-one is sourced from PubChem (CID 139583289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).