3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one

C17H24O2 — CID 116708142

IUPAC3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one
SMILESCCCC(OC)C(=O)CC1CCCc2ccccc21
InChIInChI=1S/C17H24O2/c1-3-7-17(19-2)16(18)12-14-10-6-9-13-8-4-5-11-15(13)14/h4-5,8,11,14,17H,3,6-7,9-10,12H2,1-2H3
InChIKeyGAWICOMMAKAYMZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.88
Rot. Bonds6

About 3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one

3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one (PubChem CID 116708142) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one.

Molecular Properties

Compound Name3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one
PubChem CID116708142
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one
SMILESCCCC(OC)C(=O)CC1CCCc2ccccc21
InChIInChI=1S/C17H24O2/c1-3-7-17(19-2)16(18)12-14-10-6-9-13-8-4-5-11-15(13)14/h4-5,8,11,14,17H,3,6-7,9-10,12H2,1-2H3
InChIKeyGAWICOMMAKAYMZ-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 116593963
3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 64540894
3-methoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 79197981
3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 116586776
7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
CID 116574150
4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 105082812
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
N-(1-aminopropan-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119583688
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 55242082
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate
CID 63771406
3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 79616532
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63772473

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one?
The IUPAC name of 3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one (CID 116708142) is 3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one.
What is the SMILES notation for 3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one?
The canonical SMILES for 3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one is CCCC(OC)C(=O)CC1CCCc2ccccc21.
What is the InChIKey of 3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one?
The InChIKey is GAWICOMMAKAYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-7-17(19-2)16(18)12-14-10-6-9-13-8-4-5-11-15(13)14/h4-5,8,11,14,17H,3,6-7,9-10,12H2,1-2H3.
What are the key properties of 3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one?
3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one has a molecular weight of 260.38 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one is sourced from PubChem (CID 116708142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).