(4R)-4,8-dihydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one

C11H12O3 — CID 5273357

IUPAC(4R)-4,8-dihydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1cc(O)c2c(c1)[C@H](O)CCC2=O
InChIInChI=1S/C11H12O3/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h4-5,8,12,14H,2-3H2,1H3/t8-/m1/s1
InChIKeyJOCZVRFSKAUXRP-MRVPVSSYSA-N
MW192.21 g/mol
LogP1.71
Rot. Bonds

About (4R)-4,8-dihydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one

(4R)-4,8-dihydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 5273357) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (4R)-4,8-dihydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name(4R)-4,8-dihydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID5273357
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(4R)-4,8-dihydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1cc(O)c2c(c1)[C@H](O)CCC2=O
InChIInChI=1S/C11H12O3/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h4-5,8,12,14H,2-3H2,1H3/t8-/m1/s1
InChIKeyJOCZVRFSKAUXRP-MRVPVSSYSA-N
XLogP1.71
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4,8-dihydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of (4R)-4,8-dihydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one (CID 5273357) is (4R)-4,8-dihydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for (4R)-4,8-dihydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for (4R)-4,8-dihydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one is Cc1cc(O)c2c(c1)[C@H](O)CCC2=O.
What is the InChIKey of (4R)-4,8-dihydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is JOCZVRFSKAUXRP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12O3/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h4-5,8,12,14H,2-3H2,1H3/t8-/m1/s1.
What are the key properties of (4R)-4,8-dihydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one?
(4R)-4,8-dihydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 192.21 g/mol, XLogP of 1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,8-dihydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 5273357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).