(1R)-5,8-dimethoxy-1-methyl-1-(3-oxopentyl)-6-propan-2-yl-3,4-dihydronaphthalen-2-one

C21H30O4 — CID 10337696

IUPAC(1R)-5,8-dimethoxy-1-methyl-1-(3-oxopentyl)-6-propan-2-yl-3,4-dihydronaphthalen-2-one
SMILESCCC(=O)CC[C@@]1(C)C(=O)CCc2c(OC)c(C(C)C)cc(OC)c21
InChIInChI=1S/C21H30O4/c1-7-14(22)10-11-21(4)18(23)9-8-15-19(21)17(24-5)12-16(13(2)3)20(15)25-6/h12-13H,7-11H2,1-6H3/t21-/m0/s1
InChIKeyNNEIDXGTKOSPAK-NRFANRHFSA-N
MW346.47 g/mol
LogP4.36
Rot. Bonds7

About (1R)-5,8-dimethoxy-1-methyl-1-(3-oxopentyl)-6-propan-2-yl-3,4-dihydronaphthalen-2-one

(1R)-5,8-dimethoxy-1-methyl-1-(3-oxopentyl)-6-propan-2-yl-3,4-dihydronaphthalen-2-one (PubChem CID 10337696) has the molecular formula C21H30O4 and a molecular weight of 346.47 g/mol. Its IUPAC name is (1R)-5,8-dimethoxy-1-methyl-1-(3-oxopentyl)-6-propan-2-yl-3,4-dihydronaphthalen-2-one.

Molecular Properties

Compound Name(1R)-5,8-dimethoxy-1-methyl-1-(3-oxopentyl)-6-propan-2-yl-3,4-dihydronaphthalen-2-one
PubChem CID10337696
Molecular FormulaC21H30O4
Molecular Weight346.47 g/mol
Exact Mass346.21
IUPAC Name(1R)-5,8-dimethoxy-1-methyl-1-(3-oxopentyl)-6-propan-2-yl-3,4-dihydronaphthalen-2-one
SMILESCCC(=O)CC[C@@]1(C)C(=O)CCc2c(OC)c(C(C)C)cc(OC)c21
InChIInChI=1S/C21H30O4/c1-7-14(22)10-11-21(4)18(23)9-8-15-19(21)17(24-5)12-16(13(2)3)20(15)25-6/h12-13H,7-11H2,1-6H3/t21-/m0/s1
InChIKeyNNEIDXGTKOSPAK-NRFANRHFSA-N
XLogP4.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methanol
CID 19029827
[(4aS,10aR)-5,8-dimethoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-yl]oxy-trimethylsilane
CID 10453756
6-(2-fluoro-4,5-dimethoxyphenyl)octan-3-one
CID 83922709
1-(3-methoxy-4-propan-2-ylphenyl)butan-2-one
CID 10513136
4-methoxy-3,5-di(propan-2-yl)benzoic acid
CID 15895030
2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117415319
(3bR,9bS)-6-methoxy-9b-methyl-9-phenylmethoxy-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one
CID 102027908
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117442709
6-(4-methoxy-2,5-dimethylphenyl)octan-3-one
CID 83927787
2-(4-methoxy-3-propan-2-ylphenyl)-3-methylbut-2-enoic acid
CID 82296347
2-oxobutanoyl 3,4,5-trimethoxybenzoate
CID 88749228
5-methoxy-2,2,4-trimethyl-7-propan-2-yl-1,3-dihydroindene
CID 11746525

Frequently Asked Questions

What is the IUPAC name of (1R)-5,8-dimethoxy-1-methyl-1-(3-oxopentyl)-6-propan-2-yl-3,4-dihydronaphthalen-2-one?
The IUPAC name of (1R)-5,8-dimethoxy-1-methyl-1-(3-oxopentyl)-6-propan-2-yl-3,4-dihydronaphthalen-2-one (CID 10337696) is (1R)-5,8-dimethoxy-1-methyl-1-(3-oxopentyl)-6-propan-2-yl-3,4-dihydronaphthalen-2-one.
What is the SMILES notation for (1R)-5,8-dimethoxy-1-methyl-1-(3-oxopentyl)-6-propan-2-yl-3,4-dihydronaphthalen-2-one?
The canonical SMILES for (1R)-5,8-dimethoxy-1-methyl-1-(3-oxopentyl)-6-propan-2-yl-3,4-dihydronaphthalen-2-one is CCC(=O)CC[C@@]1(C)C(=O)CCc2c(OC)c(C(C)C)cc(OC)c21.
What is the InChIKey of (1R)-5,8-dimethoxy-1-methyl-1-(3-oxopentyl)-6-propan-2-yl-3,4-dihydronaphthalen-2-one?
The InChIKey is NNEIDXGTKOSPAK-NRFANRHFSA-N. The full InChI is InChI=1S/C21H30O4/c1-7-14(22)10-11-21(4)18(23)9-8-15-19(21)17(24-5)12-16(13(2)3)20(15)25-6/h12-13H,7-11H2,1-6H3/t21-/m0/s1.
What are the key properties of (1R)-5,8-dimethoxy-1-methyl-1-(3-oxopentyl)-6-propan-2-yl-3,4-dihydronaphthalen-2-one?
(1R)-5,8-dimethoxy-1-methyl-1-(3-oxopentyl)-6-propan-2-yl-3,4-dihydronaphthalen-2-one has a molecular weight of 346.47 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5,8-dimethoxy-1-methyl-1-(3-oxopentyl)-6-propan-2-yl-3,4-dihydronaphthalen-2-one is sourced from PubChem (CID 10337696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).