8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxychromen-2-one

C16H18O5 — CID 162965351

IUPAC8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxychromen-2-one
SMILESC=C(C)[C@H](O)Cc1c(OC)cc(OC)c2ccc(=O)oc12
InChIInChI=1S/C16H18O5/c1-9(2)12(17)7-11-14(20-4)8-13(19-3)10-5-6-15(18)21-16(10)11/h5-6,8,12,17H,1,7H2,2-4H3/t12-/m1/s1
InChIKeyNUABNGXDPYIGQM-GFCCVEGCSA-N
MW290.32 g/mol
LogP2.29
Rot. Bonds5

About 8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxychromen-2-one

8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxychromen-2-one (PubChem CID 162965351) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is 8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxychromen-2-one.

Molecular Properties

Compound Name8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxychromen-2-one
PubChem CID162965351
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Name8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxychromen-2-one
SMILESC=C(C)[C@H](O)Cc1c(OC)cc(OC)c2ccc(=O)oc12
InChIInChI=1S/C16H18O5/c1-9(2)12(17)7-11-14(20-4)8-13(19-3)10-5-6-15(18)21-16(10)11/h5-6,8,12,17H,1,7H2,2-4H3/t12-/m1/s1
InChIKeyNUABNGXDPYIGQM-GFCCVEGCSA-N
XLogP2.29
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
CID 13343540
5-hydroxy-8-[(2S)-2-hydroxy-3-methylbut-3-enyl]-7-methoxy-2-methylchromen-4-one
CID 163020135
8-(2,3-dihydroxy-3-methylbutyl)-7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one
CID 12772889
5,7-dimethoxy-8-[2,3,5-trihydroxy-6-(3-hydroxy-2,2,3-trimethylbutoxy)-7-(7-methoxy-2-oxochromen-8-yl)-3,5-dimethylheptyl]chromen-2-one
CID 163042481
8-[(3S)-4-hydroxy-3-methylbutoxy]-5,7-dimethoxychromen-2-one
CID 163039145
8-[(1R,2R)-2-hydroxy-1-methoxy-3-methylbut-3-enyl]-7-methoxychromen-2-one
CID 26183438
2-(2,4-dihydroxyphenyl)-4-hydroxy-5-(2-hydroxy-3-methylbut-3-enyl)-6-methoxy-1-benzofuran-3-carbaldehyde
CID 25157570
4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]-[1,3]dioxolo[4,5-h]chromen-8-one
CID 162925476
[1-(6,7-dimethoxy-2-oxochromen-8-yl)-3-methyl-2-oxobut-3-enyl] acetate
CID 15730551
6-hydroxy-5,7,8-trimethoxychromen-2-one
CID 86221763
8-(hydroxymethyl)-7-methoxychromen-2-one
CID 1051542
5,7-dimethoxy-6-(3-methylbutyl)chromen-2-one
CID 90655370

Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxychromen-2-one?
The IUPAC name of 8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxychromen-2-one (CID 162965351) is 8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxychromen-2-one.
What is the SMILES notation for 8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxychromen-2-one?
The canonical SMILES for 8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxychromen-2-one is C=C(C)[C@H](O)Cc1c(OC)cc(OC)c2ccc(=O)oc12.
What is the InChIKey of 8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxychromen-2-one?
The InChIKey is NUABNGXDPYIGQM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18O5/c1-9(2)12(17)7-11-14(20-4)8-13(19-3)10-5-6-15(18)21-16(10)11/h5-6,8,12,17H,1,7H2,2-4H3/t12-/m1/s1.
What are the key properties of 8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxychromen-2-one?
8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxychromen-2-one has a molecular weight of 290.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxychromen-2-one is sourced from PubChem (CID 162965351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).