(1R,2S)-2-ethenyl-6-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene

C14H18O — CID 45103435

IUPAC(1R,2S)-2-ethenyl-6-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
SMILESC=C[C@@H]1CCc2cc(OC)ccc2[C@@H]1C
InChIInChI=1S/C14H18O/c1-4-11-5-6-12-9-13(15-3)7-8-14(12)10(11)2/h4,7-11H,1,5-6H2,2-3H3/t10-,11-/m1/s1
InChIKeyWJLGOZQDEPJWRT-GHMZBOCLSA-N
MW202.30 g/mol
LogP3.55
Rot. Bonds2

About (1R,2S)-2-ethenyl-6-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene

(1R,2S)-2-ethenyl-6-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 45103435) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (1R,2S)-2-ethenyl-6-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R,2S)-2-ethenyl-6-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID45103435
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(1R,2S)-2-ethenyl-6-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
SMILESC=C[C@@H]1CCc2cc(OC)ccc2[C@@H]1C
InChIInChI=1S/C14H18O/c1-4-11-5-6-12-9-13(15-3)7-8-14(12)10(11)2/h4,7-11H,1,5-6H2,2-3H3/t10-,11-/m1/s1
InChIKeyWJLGOZQDEPJWRT-GHMZBOCLSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,2R)-2-ethenyl-1-(iodomethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 53473547
(1R,2R)-1-(3-chlorobut-3-enyl)-2-ethenyl-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 102589450
(1S,2S)-2-ethenyl-6-methoxy-1-(4-phenylbut-3-ynyl)-1,2,3,4-tetrahydronaphthalene
CID 45103634
7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 19889857
(1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile
CID 86319053
2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 13275748
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-prop-2-enylamino]acetic acid
CID 79286200
6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one
CID 66350309
3-methoxy-17-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene
CID 14583318
6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 88671274
(5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 125495690
(2S)-2-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid;(2R)-2-[(1R)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid
CID 160877367

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-ethenyl-6-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R,2S)-2-ethenyl-6-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene (CID 45103435) is (1R,2S)-2-ethenyl-6-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R,2S)-2-ethenyl-6-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R,2S)-2-ethenyl-6-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene is C=C[C@@H]1CCc2cc(OC)ccc2[C@@H]1C.
What is the InChIKey of (1R,2S)-2-ethenyl-6-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WJLGOZQDEPJWRT-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H18O/c1-4-11-5-6-12-9-13(15-3)7-8-14(12)10(11)2/h4,7-11H,1,5-6H2,2-3H3/t10-,11-/m1/s1.
What are the key properties of (1R,2S)-2-ethenyl-6-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene?
(1R,2S)-2-ethenyl-6-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 202.30 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-ethenyl-6-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 45103435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).