4-[(2R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohex-3-en-1-one

C17H20O2 — CID 125489716

IUPAC4-[(2R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohex-3-en-1-one
SMILESCOc1cccc2c1CC[C@@H](C1=CCC(=O)CC1)C2
InChIInChI=1S/C17H20O2/c1-19-17-4-2-3-14-11-13(7-10-16(14)17)12-5-8-15(18)9-6-12/h2-5,13H,6-11H2,1H3/t13-/m1/s1
InChIKeyGRHVPKDGSCZCER-CYBMUJFWSA-N
MW256.34 g/mol
LogP3.48
Rot. Bonds2

About 4-[(2R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohex-3-en-1-one

4-[(2R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohex-3-en-1-one (PubChem CID 125489716) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 4-[(2R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohex-3-en-1-one.

Molecular Properties

Compound Name4-[(2R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohex-3-en-1-one
PubChem CID125489716
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name4-[(2R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohex-3-en-1-one
SMILESCOc1cccc2c1CC[C@@H](C1=CCC(=O)CC1)C2
InChIInChI=1S/C17H20O2/c1-19-17-4-2-3-14-11-13(7-10-16(14)17)12-5-8-15(18)9-6-12/h2-5,13H,6-11H2,1H3/t13-/m1/s1
InChIKeyGRHVPKDGSCZCER-CYBMUJFWSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 165394416
4-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
CID 11586977
3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine
CID 139770479
8-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 4136021
3-(2,6-dimethoxyphenyl)cyclopentan-1-one
CID 112705599
(6S)-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 142640343
methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 15237997
(2S)-2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 123510289
1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylethanamine
CID 105474792
(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 67639312
N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 67469984

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohex-3-en-1-one?
The IUPAC name of 4-[(2R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohex-3-en-1-one (CID 125489716) is 4-[(2R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohex-3-en-1-one.
What is the SMILES notation for 4-[(2R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohex-3-en-1-one?
The canonical SMILES for 4-[(2R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohex-3-en-1-one is COc1cccc2c1CC[C@@H](C1=CCC(=O)CC1)C2.
What is the InChIKey of 4-[(2R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohex-3-en-1-one?
The InChIKey is GRHVPKDGSCZCER-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20O2/c1-19-17-4-2-3-14-11-13(7-10-16(14)17)12-5-8-15(18)9-6-12/h2-5,13H,6-11H2,1H3/t13-/m1/s1.
What are the key properties of 4-[(2R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohex-3-en-1-one?
4-[(2R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohex-3-en-1-one has a molecular weight of 256.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohex-3-en-1-one is sourced from PubChem (CID 125489716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).