(4R)-4,8-dihydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one

C11H12O4 — CID 101415408

IUPAC(4R)-4,8-dihydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one
SMILESCc1ccc(O)c2c1[C@@H](O)C(C)OC2=O
InChIInChI=1S/C11H12O4/c1-5-3-4-7(12)9-8(5)10(13)6(2)15-11(9)14/h3-4,6,10,12-13H,1-2H3/t6?,10-/m0/s1
InChIKeyGFURKEBFQCFPFH-TYICEKJOSA-N
MW208.21 g/mol
LogP1.29
Rot. Bonds

About (4R)-4,8-dihydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one

(4R)-4,8-dihydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one (PubChem CID 101415408) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is (4R)-4,8-dihydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one.

Molecular Properties

Compound Name(4R)-4,8-dihydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one
PubChem CID101415408
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name(4R)-4,8-dihydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one
SMILESCc1ccc(O)c2c1[C@@H](O)C(C)OC2=O
InChIInChI=1S/C11H12O4/c1-5-3-4-7(12)9-8(5)10(13)6(2)15-11(9)14/h3-4,6,10,12-13H,1-2H3/t6?,10-/m0/s1
InChIKeyGFURKEBFQCFPFH-TYICEKJOSA-N
XLogP1.29
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4,8-dihydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one?
The IUPAC name of (4R)-4,8-dihydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one (CID 101415408) is (4R)-4,8-dihydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one.
What is the SMILES notation for (4R)-4,8-dihydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one?
The canonical SMILES for (4R)-4,8-dihydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one is Cc1ccc(O)c2c1[C@@H](O)C(C)OC2=O.
What is the InChIKey of (4R)-4,8-dihydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one?
The InChIKey is GFURKEBFQCFPFH-TYICEKJOSA-N. The full InChI is InChI=1S/C11H12O4/c1-5-3-4-7(12)9-8(5)10(13)6(2)15-11(9)14/h3-4,6,10,12-13H,1-2H3/t6?,10-/m0/s1.
What are the key properties of (4R)-4,8-dihydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one?
(4R)-4,8-dihydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one has a molecular weight of 208.21 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,8-dihydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one is sourced from PubChem (CID 101415408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).