5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol

C11H14O3 — CID 123352888

IUPAC5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
SMILESCOc1cccc2c1CC(O)C(O)C2
InChIInChI=1S/C11H14O3/c1-14-11-4-2-3-7-5-9(12)10(13)6-8(7)11/h2-4,9-10,12-13H,5-6H2,1H3
InChIKeyMSYCVDFPXWURSN-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.52
Rot. Bonds1

About 5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol

5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol (PubChem CID 123352888) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol.

Molecular Properties

Compound Name5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
PubChem CID123352888
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
SMILESCOc1cccc2c1CC(O)C(O)C2
InChIInChI=1S/C11H14O3/c1-14-11-4-2-3-7-5-9(12)10(13)6-8(7)11/h2-4,9-10,12-13H,5-6H2,1H3
InChIKeyMSYCVDFPXWURSN-UHFFFAOYSA-N
XLogP0.52
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(6S,7S)-6,7-dihydroxy-5,6,7,8-tetrahydronaphthalen-1-yl] acetate
CID 95480102
methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 86315719
(2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130898771
(3aR,9aR)-5-methoxy-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]isoindole
CID 11030912
(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 67639312
1-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 105445390
1,8-dimethoxy-9,10-dihydroanthracene
CID 12651974
(3aS,9aR)-8-methoxy-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole
CID 54561720
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
(5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol
CID 15933736
ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 165394416
(6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 142640343

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol?
The IUPAC name of 5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol (CID 123352888) is 5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol.
What is the SMILES notation for 5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol?
The canonical SMILES for 5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol is COc1cccc2c1CC(O)C(O)C2.
What is the InChIKey of 5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol?
The InChIKey is MSYCVDFPXWURSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-14-11-4-2-3-7-5-9(12)10(13)6-8(7)11/h2-4,9-10,12-13H,5-6H2,1H3.
What are the key properties of 5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol?
5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol has a molecular weight of 194.23 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol is sourced from PubChem (CID 123352888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).