[(1S)-1-(3-acetyl-5-methoxy-4-oxochromen-2-yl)ethyl] acetate

C16H16O6 — CID 162778684

IUPAC[(1S)-1-(3-acetyl-5-methoxy-4-oxochromen-2-yl)ethyl] acetate
SMILESCOc1cccc2oc([C@H](C)OC(C)=O)c(C(C)=O)c(=O)c12
InChIInChI=1S/C16H16O6/c1-8(17)13-15(19)14-11(20-4)6-5-7-12(14)22-16(13)9(2)21-10(3)18/h5-7,9H,1-4H3/t9-/m0/s1
InChIKeyUTYOXCOUAVKRCM-VIFPVBQESA-N
MW304.30 g/mol
LogP2.63
Rot. Bonds4

About [(1S)-1-(3-acetyl-5-methoxy-4-oxochromen-2-yl)ethyl] acetate

[(1S)-1-(3-acetyl-5-methoxy-4-oxochromen-2-yl)ethyl] acetate (PubChem CID 162778684) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is [(1S)-1-(3-acetyl-5-methoxy-4-oxochromen-2-yl)ethyl] acetate.

Molecular Properties

Compound Name[(1S)-1-(3-acetyl-5-methoxy-4-oxochromen-2-yl)ethyl] acetate
PubChem CID162778684
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name[(1S)-1-(3-acetyl-5-methoxy-4-oxochromen-2-yl)ethyl] acetate
SMILESCOc1cccc2oc([C@H](C)OC(C)=O)c(C(C)=O)c(=O)c12
InChIInChI=1S/C16H16O6/c1-8(17)13-15(19)14-11(20-4)6-5-7-12(14)22-16(13)9(2)21-10(3)18/h5-7,9H,1-4H3/t9-/m0/s1
InChIKeyUTYOXCOUAVKRCM-VIFPVBQESA-N
XLogP2.63
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1S)-1-(3-acetyl-5-methoxy-4-oxochromen-2-yl)ethyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-1-(3-acetyl-8-iodo-5-methoxy-4-oxochromen-2-yl)ethyl] acetate
CID 162778667
4-methoxy-3-propan-2-yl-1-benzofuran-2-carboxylic acid
CID 84697441
7-hydroxy-1-methoxyxanthen-9-one
CID 10490332
3-acetyl-5-methoxy-2-methylsulfanyl-1H-quinolin-4-one
CID 164884874
(2-acetyl-3-methoxyphenyl) acetate
CID 15090735
(2S,3S)-1-(2,6-dimethoxyphenyl)-3-hydroxy-2-methylbutan-1-one
CID 102019504
3-iodo-5-methoxychromen-4-one
CID 11514968
3-ethyl-5-methoxy-4-oxochromene-2-carboxylic acid
CID 69384782
1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione
CID 139586019
2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one
CID 172643077
1-hydroxy-3,4,8-trimethoxyxanthen-9-one
CID 162882586
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3-acetyl-5-methoxy-4-oxochromen-2-yl)ethyl] acetate?
The IUPAC name of [(1S)-1-(3-acetyl-5-methoxy-4-oxochromen-2-yl)ethyl] acetate (CID 162778684) is [(1S)-1-(3-acetyl-5-methoxy-4-oxochromen-2-yl)ethyl] acetate.
What is the SMILES notation for [(1S)-1-(3-acetyl-5-methoxy-4-oxochromen-2-yl)ethyl] acetate?
The canonical SMILES for [(1S)-1-(3-acetyl-5-methoxy-4-oxochromen-2-yl)ethyl] acetate is COc1cccc2oc([C@H](C)OC(C)=O)c(C(C)=O)c(=O)c12.
What is the InChIKey of [(1S)-1-(3-acetyl-5-methoxy-4-oxochromen-2-yl)ethyl] acetate?
The InChIKey is UTYOXCOUAVKRCM-VIFPVBQESA-N. The full InChI is InChI=1S/C16H16O6/c1-8(17)13-15(19)14-11(20-4)6-5-7-12(14)22-16(13)9(2)21-10(3)18/h5-7,9H,1-4H3/t9-/m0/s1.
What are the key properties of [(1S)-1-(3-acetyl-5-methoxy-4-oxochromen-2-yl)ethyl] acetate?
[(1S)-1-(3-acetyl-5-methoxy-4-oxochromen-2-yl)ethyl] acetate has a molecular weight of 304.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3-acetyl-5-methoxy-4-oxochromen-2-yl)ethyl] acetate is sourced from PubChem (CID 162778684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).