(1R,2S)-1,2-dihydronaphthalene-1,2,5-triol

C10H10O3 — CID 102427204

IUPAC(1R,2S)-1,2-dihydronaphthalene-1,2,5-triol
SMILESOc1cccc2c1C=C[C@H](O)[C@@H]2O
InChIInChI=1S/C10H10O3/c11-8-3-1-2-7-6(8)4-5-9(12)10(7)13/h1-5,9-13H/t9-,10+/m0/s1
InChIKeySGLWVPNWAVTUMD-VHSXEESVSA-N
MW178.19 g/mol
LogP0.81
Rot. Bonds

About (1R,2S)-1,2-dihydronaphthalene-1,2,5-triol

(1R,2S)-1,2-dihydronaphthalene-1,2,5-triol (PubChem CID 102427204) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is (1R,2S)-1,2-dihydronaphthalene-1,2,5-triol.

Molecular Properties

Compound Name(1R,2S)-1,2-dihydronaphthalene-1,2,5-triol
PubChem CID102427204
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name(1R,2S)-1,2-dihydronaphthalene-1,2,5-triol
SMILESOc1cccc2c1C=C[C@H](O)[C@@H]2O
InChIInChI=1S/C10H10O3/c11-8-3-1-2-7-6(8)4-5-9(12)10(7)13/h1-5,9-13H/t9-,10+/m0/s1
InChIKeySGLWVPNWAVTUMD-VHSXEESVSA-N
XLogP0.81
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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(7R,8R,18S,19S)-pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),5,10,12,15,17(22),20-nonaene-7,8,18,19-tetrol
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(1S,2S)-2-methyl-5-methylsulfonyl-1,2-dihydronaphthalen-1-ol
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(1R,3R)-2-methyl-2,3-dihydro-1H-indene-1,3-diol
CID 10535021
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(1S)-4-bromo-1H-inden-1-ol
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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1,2-dihydronaphthalene-1,2,5-triol?
The IUPAC name of (1R,2S)-1,2-dihydronaphthalene-1,2,5-triol (CID 102427204) is (1R,2S)-1,2-dihydronaphthalene-1,2,5-triol.
What is the SMILES notation for (1R,2S)-1,2-dihydronaphthalene-1,2,5-triol?
The canonical SMILES for (1R,2S)-1,2-dihydronaphthalene-1,2,5-triol is Oc1cccc2c1C=C[C@H](O)[C@@H]2O.
What is the InChIKey of (1R,2S)-1,2-dihydronaphthalene-1,2,5-triol?
The InChIKey is SGLWVPNWAVTUMD-VHSXEESVSA-N. The full InChI is InChI=1S/C10H10O3/c11-8-3-1-2-7-6(8)4-5-9(12)10(7)13/h1-5,9-13H/t9-,10+/m0/s1.
What are the key properties of (1R,2S)-1,2-dihydronaphthalene-1,2,5-triol?
(1R,2S)-1,2-dihydronaphthalene-1,2,5-triol has a molecular weight of 178.19 g/mol, XLogP of 0.81, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1,2-dihydronaphthalene-1,2,5-triol is sourced from PubChem (CID 102427204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).