8,10-dihydroxy-7-methoxy-3-[(E)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)-1H-benzo[g]isochromen-9-one

C24H28O6 — CID 15735801

IUPAC8,10-dihydroxy-7-methoxy-3-[(E)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)-1H-benzo[g]isochromen-9-one
SMILESCCC(C)/C=C(\C)C1=Cc2cc3c(c(O)c2CO1)C(=O)C(O)(CC(C)=O)C(OC)=C3
InChIInChI=1S/C24H28O6/c1-6-13(2)7-14(3)19-9-16-8-17-10-20(29-5)24(28,11-15(4)25)23(27)21(17)22(26)18(16)12-30-19/h7-10,13,26,28H,6,11-12H2,1-5H3/b14-7+
InChIKeyAEUOEFHLXREGMT-VGOFMYFVSA-N
MW412.48 g/mol
LogP4.15
Rot. Bonds6

About 8,10-dihydroxy-7-methoxy-3-[(E)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)-1H-benzo[g]isochromen-9-one

8,10-dihydroxy-7-methoxy-3-[(E)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)-1H-benzo[g]isochromen-9-one (PubChem CID 15735801) has the molecular formula C24H28O6 and a molecular weight of 412.48 g/mol. Its IUPAC name is 8,10-dihydroxy-7-methoxy-3-[(E)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)-1H-benzo[g]isochromen-9-one.

Molecular Properties

Compound Name8,10-dihydroxy-7-methoxy-3-[(E)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)-1H-benzo[g]isochromen-9-one
PubChem CID15735801
Molecular FormulaC24H28O6
Molecular Weight412.48 g/mol
Exact Mass412.19
IUPAC Name8,10-dihydroxy-7-methoxy-3-[(E)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)-1H-benzo[g]isochromen-9-one
SMILESCCC(C)/C=C(\C)C1=Cc2cc3c(c(O)c2CO1)C(=O)C(O)(CC(C)=O)C(OC)=C3
InChIInChI=1S/C24H28O6/c1-6-13(2)7-14(3)19-9-16-8-17-10-20(29-5)24(28,11-15(4)25)23(27)21(17)22(26)18(16)12-30-19/h7-10,13,26,28H,6,11-12H2,1-5H3/b14-7+
InChIKeyAEUOEFHLXREGMT-VGOFMYFVSA-N
XLogP4.15
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(8S)-8,10-dihydroxy-7-methoxy-3-[(E,4S)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)benzo[g]isochromene-1,9-dione
CID 146682609
1-ethoxy-10-hydroxy-7-methoxy-3-(4-methylhex-2-en-2-yl)-1H-benzo[g]isochromene-8,9-dione
CID 85069859
2-methoxy-3-methyl-6-[(E,4S)-4-methylhex-2-en-2-yl]pyran-4-one
CID 146682271
4-methoxy-3-methyl-6-[(E,4R)-4-methylhex-2-en-2-yl]pyran-2-one
CID 163072280
4-methoxy-3-methyl-5-[(E)-4-methylhex-2-en-2-yl]pyran-2-one
CID 102036378
[(7S,8S,8aS)-5-chloro-3-[(1E,3E,5R)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] acetate
CID 163034316
[(7R,8R,8aR)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] acetate
CID 10385992
8-hydroxy-7-methoxy-3-methyl-1H-cyclohepta[c]pyran-9-one
CID 137248626
(1S)-1,7-dihydroxy-4-methoxy-1-(2-oxopropyl)phenanthren-2-one
CID 162955161
2-ethyl-2-hydroxy-5-(4,6,8-trimethyldec-2-en-2-yl)furan-3-one
CID 163155721
(7S,8R,8aR)-5-chloro-3-[(1E,3E,5R)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one
CID 162999953
(3S)-3-heptyl-3,5,10-trihydroxy-7-methoxy-1,4-dihydrobenzo[g]isochromene-8,9-dione
CID 162882925

Frequently Asked Questions

What is the IUPAC name of 8,10-dihydroxy-7-methoxy-3-[(E)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)-1H-benzo[g]isochromen-9-one?
The IUPAC name of 8,10-dihydroxy-7-methoxy-3-[(E)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)-1H-benzo[g]isochromen-9-one (CID 15735801) is 8,10-dihydroxy-7-methoxy-3-[(E)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)-1H-benzo[g]isochromen-9-one.
What is the SMILES notation for 8,10-dihydroxy-7-methoxy-3-[(E)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)-1H-benzo[g]isochromen-9-one?
The canonical SMILES for 8,10-dihydroxy-7-methoxy-3-[(E)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)-1H-benzo[g]isochromen-9-one is CCC(C)/C=C(\C)C1=Cc2cc3c(c(O)c2CO1)C(=O)C(O)(CC(C)=O)C(OC)=C3.
What is the InChIKey of 8,10-dihydroxy-7-methoxy-3-[(E)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)-1H-benzo[g]isochromen-9-one?
The InChIKey is AEUOEFHLXREGMT-VGOFMYFVSA-N. The full InChI is InChI=1S/C24H28O6/c1-6-13(2)7-14(3)19-9-16-8-17-10-20(29-5)24(28,11-15(4)25)23(27)21(17)22(26)18(16)12-30-19/h7-10,13,26,28H,6,11-12H2,1-5H3/b14-7+.
What are the key properties of 8,10-dihydroxy-7-methoxy-3-[(E)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)-1H-benzo[g]isochromen-9-one?
8,10-dihydroxy-7-methoxy-3-[(E)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)-1H-benzo[g]isochromen-9-one has a molecular weight of 412.48 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dihydroxy-7-methoxy-3-[(E)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)-1H-benzo[g]isochromen-9-one is sourced from PubChem (CID 15735801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).