(1S,2R,3R,4R)-3-methyl-2,4-dihydro-1H-naphthalene-1,2,3,4-tetrol

C11H14O4 — CID 24778112

IUPAC(1S,2R,3R,4R)-3-methyl-2,4-dihydro-1H-naphthalene-1,2,3,4-tetrol
SMILESC[C@@]1(O)[C@H](O)c2ccccc2[C@H](O)[C@H]1O
InChIInChI=1S/C11H14O4/c1-11(15)9(13)7-5-3-2-4-6(7)8(12)10(11)14/h2-5,8-10,12-15H,1H3/t8-,9+,10+,11+/m0/s1
InChIKeyHMKXIOZQNMGYSJ-LNFKQOIKSA-N
MW210.23 g/mol
LogP-0.12
Rot. Bonds

About (1S,2R,3R,4R)-3-methyl-2,4-dihydro-1H-naphthalene-1,2,3,4-tetrol

(1S,2R,3R,4R)-3-methyl-2,4-dihydro-1H-naphthalene-1,2,3,4-tetrol (PubChem CID 24778112) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (1S,2R,3R,4R)-3-methyl-2,4-dihydro-1H-naphthalene-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1S,2R,3R,4R)-3-methyl-2,4-dihydro-1H-naphthalene-1,2,3,4-tetrol
PubChem CID24778112
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(1S,2R,3R,4R)-3-methyl-2,4-dihydro-1H-naphthalene-1,2,3,4-tetrol
SMILESC[C@@]1(O)[C@H](O)c2ccccc2[C@H](O)[C@H]1O
InChIInChI=1S/C11H14O4/c1-11(15)9(13)7-5-3-2-4-6(7)8(12)10(11)14/h2-5,8-10,12-15H,1H3/t8-,9+,10+,11+/m0/s1
InChIKeyHMKXIOZQNMGYSJ-LNFKQOIKSA-N
XLogP-0.12
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,4R)-3-methyl-2,4-dihydro-1H-naphthalene-1,2,3,4-tetrol?
The IUPAC name of (1S,2R,3R,4R)-3-methyl-2,4-dihydro-1H-naphthalene-1,2,3,4-tetrol (CID 24778112) is (1S,2R,3R,4R)-3-methyl-2,4-dihydro-1H-naphthalene-1,2,3,4-tetrol.
What is the SMILES notation for (1S,2R,3R,4R)-3-methyl-2,4-dihydro-1H-naphthalene-1,2,3,4-tetrol?
The canonical SMILES for (1S,2R,3R,4R)-3-methyl-2,4-dihydro-1H-naphthalene-1,2,3,4-tetrol is C[C@@]1(O)[C@H](O)c2ccccc2[C@H](O)[C@H]1O.
What is the InChIKey of (1S,2R,3R,4R)-3-methyl-2,4-dihydro-1H-naphthalene-1,2,3,4-tetrol?
The InChIKey is HMKXIOZQNMGYSJ-LNFKQOIKSA-N. The full InChI is InChI=1S/C11H14O4/c1-11(15)9(13)7-5-3-2-4-6(7)8(12)10(11)14/h2-5,8-10,12-15H,1H3/t8-,9+,10+,11+/m0/s1.
What are the key properties of (1S,2R,3R,4R)-3-methyl-2,4-dihydro-1H-naphthalene-1,2,3,4-tetrol?
(1S,2R,3R,4R)-3-methyl-2,4-dihydro-1H-naphthalene-1,2,3,4-tetrol has a molecular weight of 210.23 g/mol, XLogP of -0.12, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,4R)-3-methyl-2,4-dihydro-1H-naphthalene-1,2,3,4-tetrol is sourced from PubChem (CID 24778112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).