(8-hydroxy-4,5-dimethyl-1-oxo-6-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-2-yl) acetate

C17H20O4 — CID 162960172

IUPAC(8-hydroxy-4,5-dimethyl-1-oxo-6-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-2-yl) acetate
SMILESC=C(C)c1cc(O)c2c(c1C)C(C)CC(OC(C)=O)C2=O
InChIInChI=1S/C17H20O4/c1-8(2)12-7-13(19)16-15(10(12)4)9(3)6-14(17(16)20)21-11(5)18/h7,9,14,19H,1,6H2,2-5H3
InChIKeyRHVCJEFKAVVDCB-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.36
Rot. Bonds2

About (8-hydroxy-4,5-dimethyl-1-oxo-6-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-2-yl) acetate

(8-hydroxy-4,5-dimethyl-1-oxo-6-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-2-yl) acetate (PubChem CID 162960172) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is (8-hydroxy-4,5-dimethyl-1-oxo-6-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-2-yl) acetate.

Molecular Properties

Compound Name(8-hydroxy-4,5-dimethyl-1-oxo-6-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-2-yl) acetate
PubChem CID162960172
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name(8-hydroxy-4,5-dimethyl-1-oxo-6-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-2-yl) acetate
SMILESC=C(C)c1cc(O)c2c(c1C)C(C)CC(OC(C)=O)C2=O
InChIInChI=1S/C17H20O4/c1-8(2)12-7-13(19)16-15(10(12)4)9(3)6-14(17(16)20)21-11(5)18/h7,9,14,19H,1,6H2,2-5H3
InChIKeyRHVCJEFKAVVDCB-UHFFFAOYSA-N
XLogP3.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(5S,7S)-9-hydroxy-3,4,5-trimethyl-8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-7-yl] (Z)-2-methylbut-2-enoate
CID 163195350
[(1S,3S,4R,6S,7R,9S)-3,4,6,7,9-pentaacetyloxy-2,3,4,5,6,7,8,9-octahydro-1H-cyclopenta[e]-as-indacen-1-yl] acetate
CID 98504176
[(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl] acetate
CID 11961495
(2-methyl-4-oxocyclohex-2-en-1-yl) acetate
CID 10986648
(2,5-dioxo-7-bicyclo[4.2.0]octa-1(6),3-dienyl) acetate
CID 71342936
(5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl) acetate
CID 174515763
[(1R,3S)-8-hydroxy-3-methyl-7,12-dioxo-1,2,3,4-tetrahydrobenzo[a]anthracen-1-yl] acetate
CID 11089416
methyl (1R,5S)-5-acetyloxy-2-methyl-4-oxocyclohex-2-ene-1-carboxylate
CID 102385443
(3,7,17-trihydroxy-9,15-dimethyl-13,19-dioxo-20-oxahexacyclo[10.9.1.11,14.02,11.05,10.018,23]tricosa-2,4,6,8,10,14(23),15,17-octaen-22-yl) acetate
CID 163149065
[(1S,5S)-2-iodo-5-methylcyclohex-2-en-1-yl] acetate
CID 53348616
[(1R,4aS,9R,9aR)-8,9-dihydroxy-10-oxo-4,4a,9,9a-tetrahydro-1H-anthracen-1-yl] acetate
CID 135045998
(6-hydroxy-8-methyl-5-oxo-2,3-dihydro-1H-cyclopenta[c]isochromen-1-yl) acetate
CID 162982895

Frequently Asked Questions

What is the IUPAC name of (8-hydroxy-4,5-dimethyl-1-oxo-6-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-2-yl) acetate?
The IUPAC name of (8-hydroxy-4,5-dimethyl-1-oxo-6-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-2-yl) acetate (CID 162960172) is (8-hydroxy-4,5-dimethyl-1-oxo-6-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-2-yl) acetate.
What is the SMILES notation for (8-hydroxy-4,5-dimethyl-1-oxo-6-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-2-yl) acetate?
The canonical SMILES for (8-hydroxy-4,5-dimethyl-1-oxo-6-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-2-yl) acetate is C=C(C)c1cc(O)c2c(c1C)C(C)CC(OC(C)=O)C2=O.
What is the InChIKey of (8-hydroxy-4,5-dimethyl-1-oxo-6-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-2-yl) acetate?
The InChIKey is RHVCJEFKAVVDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-8(2)12-7-13(19)16-15(10(12)4)9(3)6-14(17(16)20)21-11(5)18/h7,9,14,19H,1,6H2,2-5H3.
What are the key properties of (8-hydroxy-4,5-dimethyl-1-oxo-6-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-2-yl) acetate?
(8-hydroxy-4,5-dimethyl-1-oxo-6-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-2-yl) acetate has a molecular weight of 288.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-hydroxy-4,5-dimethyl-1-oxo-6-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-2-yl) acetate is sourced from PubChem (CID 162960172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).