(1R,2R)-2-(dimethoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol

C13H18O3 — CID 102396750

IUPAC(1R,2R)-2-(dimethoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOC(OC)[C@@H]1CCc2ccccc2[C@@H]1O
InChIInChI=1S/C13H18O3/c1-15-13(16-2)11-8-7-9-5-3-4-6-10(9)12(11)14/h3-6,11-14H,7-8H2,1-2H3/t11-,12+/m1/s1
InChIKeyDNVHNSMSTUXEBH-NEPJUHHUSA-N
MW222.28 g/mol
LogP1.90
Rot. Bonds3

About (1R,2R)-2-(dimethoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol

(1R,2R)-2-(dimethoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 102396750) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (1R,2R)-2-(dimethoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-(dimethoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID102396750
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(1R,2R)-2-(dimethoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOC(OC)[C@@H]1CCc2ccccc2[C@@H]1O
InChIInChI=1S/C13H18O3/c1-15-13(16-2)11-8-7-9-5-3-4-6-10(9)12(11)14/h3-6,11-14H,7-8H2,1-2H3/t11-,12+/m1/s1
InChIKeyDNVHNSMSTUXEBH-NEPJUHHUSA-N
XLogP1.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79424093
6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79725685
ethane;2-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 145337942
(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanediol
CID 18727347
tris(2,3-dihydro-1H-inden-1-ol);ethane
CID 19770523
2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 12522311
(1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10587055
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 104565816
5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol
CID 121014206
(1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 70291111
methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 102001294
ethyl (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 10987788

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(dimethoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1R,2R)-2-(dimethoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 102396750) is (1R,2R)-2-(dimethoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1R,2R)-2-(dimethoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1R,2R)-2-(dimethoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol is COC(OC)[C@@H]1CCc2ccccc2[C@@H]1O.
What is the InChIKey of (1R,2R)-2-(dimethoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is DNVHNSMSTUXEBH-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H18O3/c1-15-13(16-2)11-8-7-9-5-3-4-6-10(9)12(11)14/h3-6,11-14H,7-8H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (1R,2R)-2-(dimethoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
(1R,2R)-2-(dimethoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 222.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(dimethoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 102396750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).