6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane

C17H28O3 — CID 143278523

IUPAC6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane
SMILESCC.CCC.COc1cc2c(c(OC)c1)C(=O)CCC2
InChIInChI=1S/C12H14O3.C3H8.C2H6/c1-14-9-6-8-4-3-5-10(13)12(8)11(7-9)15-2;1-3-2;1-2/h6-7H,3-5H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyUSPFFSDTTWYYAV-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.67
Rot. Bonds2

About 6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane

6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane (PubChem CID 143278523) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane.

Molecular Properties

Compound Name6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane
PubChem CID143278523
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane
SMILESCC.CCC.COc1cc2c(c(OC)c1)C(=O)CCC2
InChIInChI=1S/C12H14O3.C3H8.C2H6/c1-14-9-6-8-4-3-5-10(13)12(8)11(7-9)15-2;1-3-2;1-2/h6-7H,3-5H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyUSPFFSDTTWYYAV-UHFFFAOYSA-N
XLogP4.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
5,7-dimethoxy-3H-2-benzofuran-1-one
CID 7314397
(4R,7Z)-14,16-dimethoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),7,13,15-tetraen-2-one
CID 71600221
2,3-diethyl-5,7-dimethoxynaphthalene-1,4-dione
CID 101063620
6,8-dimethoxy-3-pentyl-3,4-dihydroisochromen-1-one
CID 71373264
2-(3-aminopropyl)-6,8-dimethoxy-3,4-dihydroisoquinolin-1-one
CID 94694165
7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol
CID 102526280
8,10-dimethoxy-5,6-dihydro-2H-pyrrolo[2,1-a]isoquinolin-3-one
CID 46918660
6,8-dimethoxy-2,3,9,10-tetrahydro-1H-phenanthren-4-one
CID 11118740
3,5,7-trimethoxy-9,10-dihydrophenanthren-2-ol
CID 71437517
6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one
CID 121429782
7-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10241621

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane?
The IUPAC name of 6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane (CID 143278523) is 6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane.
What is the SMILES notation for 6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane?
The canonical SMILES for 6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane is CC.CCC.COc1cc2c(c(OC)c1)C(=O)CCC2.
What is the InChIKey of 6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane?
The InChIKey is USPFFSDTTWYYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3.C3H8.C2H6/c1-14-9-6-8-4-3-5-10(13)12(8)11(7-9)15-2;1-3-2;1-2/h6-7H,3-5H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of 6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane?
6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane has a molecular weight of 280.41 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane is sourced from PubChem (CID 143278523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).