(2R)-1-(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2-methylbutan-1-one

C17H24O4 — CID 163193364

IUPAC(2R)-1-(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2-methylbutan-1-one
SMILESCC[C@@H](C)C(=O)c1c(OC)cc(O)c2c1OC(C)(C)CC2
InChIInChI=1S/C17H24O4/c1-6-10(2)15(19)14-13(20-5)9-12(18)11-7-8-17(3,4)21-16(11)14/h9-10,18H,6-8H2,1-5H3/t10-/m1/s1
InChIKeyLYRVZEIWKNTUGC-SNVBAGLBSA-N
MW292.38 g/mol
LogP3.73
Rot. Bonds4

About (2R)-1-(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2-methylbutan-1-one

(2R)-1-(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2-methylbutan-1-one (PubChem CID 163193364) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2R)-1-(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name(2R)-1-(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2-methylbutan-1-one
PubChem CID163193364
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(2R)-1-(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2-methylbutan-1-one
SMILESCC[C@@H](C)C(=O)c1c(OC)cc(O)c2c1OC(C)(C)CC2
InChIInChI=1S/C17H24O4/c1-6-10(2)15(19)14-13(20-5)9-12(18)11-7-8-17(3,4)21-16(11)14/h9-10,18H,6-8H2,1-5H3/t10-/m1/s1
InChIKeyLYRVZEIWKNTUGC-SNVBAGLBSA-N
XLogP3.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2-methylbutan-1-one with MolForge

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Related Compounds

1-(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)prop-2-en-1-one
CID 144730829
(2R)-1-(5,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methylbutan-1-one
CID 162870961
2-methyl-1-[(2R,3S)-3,5,7-trihydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromen-8-yl]butan-1-one
CID 71458439
1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromen-6-yl)-2-methoxyethanone
CID 134121286
methyl 10-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromene-5-carboxylate
CID 851414
11-hydroxy-5-methoxy-2,2,9-trimethyl-3,4-dihydronaphtho[3,2-h]chromene-7,12-dione
CID 14729074
(5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) (2S)-2-amino-3-methoxypropanoate
CID 162236159
(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl) propanoate
CID 89221071
5-bromo-8-methoxy-2,2-dimethyl-3,4-dihydrochromene
CID 171049136
7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol
CID 10176661
1-[2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-methylbutan-1-one
CID 5323592
5-(hydroxymethyl)-2,2,8-trimethyl-3,4-dihydrochromen-6-ol
CID 53473720

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2-methylbutan-1-one?
The IUPAC name of (2R)-1-(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2-methylbutan-1-one (CID 163193364) is (2R)-1-(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2-methylbutan-1-one.
What is the SMILES notation for (2R)-1-(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2-methylbutan-1-one?
The canonical SMILES for (2R)-1-(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2-methylbutan-1-one is CC[C@@H](C)C(=O)c1c(OC)cc(O)c2c1OC(C)(C)CC2.
What is the InChIKey of (2R)-1-(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2-methylbutan-1-one?
The InChIKey is LYRVZEIWKNTUGC-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H24O4/c1-6-10(2)15(19)14-13(20-5)9-12(18)11-7-8-17(3,4)21-16(11)14/h9-10,18H,6-8H2,1-5H3/t10-/m1/s1.
What are the key properties of (2R)-1-(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2-methylbutan-1-one?
(2R)-1-(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2-methylbutan-1-one has a molecular weight of 292.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2-methylbutan-1-one is sourced from PubChem (CID 163193364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).