[(3R)-7-methoxy-4-oxo-3-propyl-2H-chromen-3-yl]methyl acetate

C16H20O5 — CID 101115263

IUPAC[(3R)-7-methoxy-4-oxo-3-propyl-2H-chromen-3-yl]methyl acetate
SMILESCCC[C@]1(COC(C)=O)COc2cc(OC)ccc2C1=O
InChIInChI=1S/C16H20O5/c1-4-7-16(9-20-11(2)17)10-21-14-8-12(19-3)5-6-13(14)15(16)18/h5-6,8H,4,7,9-10H2,1-3H3/t16-/m0/s1
InChIKeyRMXRRLXLUURIBN-INIZCTEOSA-N
MW292.33 g/mol
LogP2.62
Rot. Bonds5

About [(3R)-7-methoxy-4-oxo-3-propyl-2H-chromen-3-yl]methyl acetate

[(3R)-7-methoxy-4-oxo-3-propyl-2H-chromen-3-yl]methyl acetate (PubChem CID 101115263) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is [(3R)-7-methoxy-4-oxo-3-propyl-2H-chromen-3-yl]methyl acetate.

Molecular Properties

Compound Name[(3R)-7-methoxy-4-oxo-3-propyl-2H-chromen-3-yl]methyl acetate
PubChem CID101115263
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name[(3R)-7-methoxy-4-oxo-3-propyl-2H-chromen-3-yl]methyl acetate
SMILESCCC[C@]1(COC(C)=O)COc2cc(OC)ccc2C1=O
InChIInChI=1S/C16H20O5/c1-4-7-16(9-20-11(2)17)10-21-14-8-12(19-3)5-6-13(14)15(16)18/h5-6,8H,4,7,9-10H2,1-3H3/t16-/m0/s1
InChIKeyRMXRRLXLUURIBN-INIZCTEOSA-N
XLogP2.62
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-7-methoxy-4-oxo-3-propyl-2H-chromen-3-yl]methyl 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

[3-(acetyloxymethyl)-7-(ethoxymethoxy)-4-oxo-2H-chromen-3-yl]methyl acetate
CID 15710173
(3S)-3-butyl-3-(hydroxymethyl)-7-methoxy-2H-chromen-4-one
CID 101115256
(3R)-3-(hydroxymethyl)-7-methoxy-3-pentyl-2H-chromen-4-one
CID 101115257
7-methoxyspiro[2H-chromene-3,1'-cyclopropane]-4-one
CID 82277925
(3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one
CID 163068081
3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one
CID 151487704
7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 3044476
(E)-1-(8-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)oct-1-en-3-one
CID 11566108
6-methoxy-1-benzofuran-3-one
CID 585368
ethyl 2-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)acetate
CID 101494376
3,3-dibromo-7-(4-methoxyphenyl)-2H-chromen-4-one
CID 69402758
2,2-dibromo-6-methoxy-1-benzofuran-3-one
CID 5325532

Frequently Asked Questions

What is the IUPAC name of [(3R)-7-methoxy-4-oxo-3-propyl-2H-chromen-3-yl]methyl acetate?
The IUPAC name of [(3R)-7-methoxy-4-oxo-3-propyl-2H-chromen-3-yl]methyl acetate (CID 101115263) is [(3R)-7-methoxy-4-oxo-3-propyl-2H-chromen-3-yl]methyl acetate.
What is the SMILES notation for [(3R)-7-methoxy-4-oxo-3-propyl-2H-chromen-3-yl]methyl acetate?
The canonical SMILES for [(3R)-7-methoxy-4-oxo-3-propyl-2H-chromen-3-yl]methyl acetate is CCC[C@]1(COC(C)=O)COc2cc(OC)ccc2C1=O.
What is the InChIKey of [(3R)-7-methoxy-4-oxo-3-propyl-2H-chromen-3-yl]methyl acetate?
The InChIKey is RMXRRLXLUURIBN-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20O5/c1-4-7-16(9-20-11(2)17)10-21-14-8-12(19-3)5-6-13(14)15(16)18/h5-6,8H,4,7,9-10H2,1-3H3/t16-/m0/s1.
What are the key properties of [(3R)-7-methoxy-4-oxo-3-propyl-2H-chromen-3-yl]methyl acetate?
[(3R)-7-methoxy-4-oxo-3-propyl-2H-chromen-3-yl]methyl acetate has a molecular weight of 292.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-7-methoxy-4-oxo-3-propyl-2H-chromen-3-yl]methyl acetate is sourced from PubChem (CID 101115263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).