(1R,2S)-2-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene

C14H20O — CID 118421434

IUPAC(1R,2S)-2-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESCO[C@H]1CCc2ccccc2[C@H]1C(C)C
InChIInChI=1S/C14H20O/c1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3/h4-7,10,13-14H,8-9H2,1-3H3/t13-,14+/m0/s1
InChIKeyDWPJJKRBYHRHRR-UONOGXRCSA-N
MW204.31 g/mol
LogP3.39
Rot. Bonds2

About (1R,2S)-2-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene

(1R,2S)-2-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 118421434) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (1R,2S)-2-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R,2S)-2-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
PubChem CID118421434
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(1R,2S)-2-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESCO[C@H]1CCc2ccccc2[C@H]1C(C)C
InChIInChI=1S/C14H20O/c1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3/h4-7,10,13-14H,8-9H2,1-3H3/t13-,14+/m0/s1
InChIKeyDWPJJKRBYHRHRR-UONOGXRCSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 157427807
2-methoxy-1-(2-methylprop-2-enyl)-1,2,3,4-tetrahydronaphthalene
CID 582364
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
N-(2-methoxycyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 62086936
2-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79424093
1-[(1R)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 175161324
1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 23332534
(1R)-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 132584955
ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733
N-[(1R,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 141199420
1-(2,3-dihydro-1H-inden-1-yl)ethanesulfonamide
CID 67418342
(1R,2R)-2-(dimethoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102396750

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R,2S)-2-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene (CID 118421434) is (1R,2S)-2-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R,2S)-2-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R,2S)-2-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene is CO[C@H]1CCc2ccccc2[C@H]1C(C)C.
What is the InChIKey of (1R,2S)-2-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is DWPJJKRBYHRHRR-UONOGXRCSA-N. The full InChI is InChI=1S/C14H20O/c1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3/h4-7,10,13-14H,8-9H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of (1R,2S)-2-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
(1R,2S)-2-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 204.31 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 118421434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).