(1R,2R)-2-fluoro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol

C12H15FO3 — CID 102581566

IUPAC(1R,2R)-2-fluoro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1cc2c(cc1OC)[C@@H](O)[C@H](F)CC2
InChIInChI=1S/C12H15FO3/c1-15-10-5-7-3-4-9(13)12(14)8(7)6-11(10)16-2/h5-6,9,12,14H,3-4H2,1-2H3/t9-,12-/m1/s1
InChIKeyAQOBBMVXOBFTQZ-BXKDBHETSA-N
MW226.25 g/mol
LogP2.02
Rot. Bonds2

About (1R,2R)-2-fluoro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol

(1R,2R)-2-fluoro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 102581566) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is (1R,2R)-2-fluoro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-fluoro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID102581566
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name(1R,2R)-2-fluoro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1cc2c(cc1OC)[C@@H](O)[C@H](F)CC2
InChIInChI=1S/C12H15FO3/c1-15-10-5-7-3-4-9(13)12(14)8(7)6-11(10)16-2/h5-6,9,12,14H,3-4H2,1-2H3/t9-,12-/m1/s1
InChIKeyAQOBBMVXOBFTQZ-BXKDBHETSA-N
XLogP2.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol
CID 71395890
1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene
CID 82024117
2-[(1S,2S)-1-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]isoindole-1,3-dione
CID 101499245
[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]hydrazine
CID 124633928
(2R)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 101368184
1-bromo-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 116995533
(13S,13aR)-2,3,10,11-tetramethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-13-ol
CID 3078136
2-chloro-N-(2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 67800169
2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84639455
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
1-azido-5,6-dimethoxy-2,3-dihydro-1H-indene
CID 132528570
1-cyclopropyl-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 14939993

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-fluoro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1R,2R)-2-fluoro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol (CID 102581566) is (1R,2R)-2-fluoro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1R,2R)-2-fluoro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1R,2R)-2-fluoro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol is COc1cc2c(cc1OC)[C@@H](O)[C@H](F)CC2.
What is the InChIKey of (1R,2R)-2-fluoro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is AQOBBMVXOBFTQZ-BXKDBHETSA-N. The full InChI is InChI=1S/C12H15FO3/c1-15-10-5-7-3-4-9(13)12(14)8(7)6-11(10)16-2/h5-6,9,12,14H,3-4H2,1-2H3/t9-,12-/m1/s1.
What are the key properties of (1R,2R)-2-fluoro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol?
(1R,2R)-2-fluoro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 226.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-fluoro-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 102581566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).