[(2S)-6-acetyl-2-methylchromen-2-yl]methyl acetate

C15H16O4 — CID 163027916

IUPAC[(2S)-6-acetyl-2-methylchromen-2-yl]methyl acetate
SMILESCC(=O)OC[C@]1(C)C=Cc2cc(C(C)=O)ccc2O1
InChIInChI=1S/C15H16O4/c1-10(16)12-4-5-14-13(8-12)6-7-15(3,19-14)9-18-11(2)17/h4-8H,9H2,1-3H3/t15-/m0/s1
InChIKeyOCMHIQFIJSIFDX-HNNXBMFYSA-N
MW260.29 g/mol
LogP2.62
Rot. Bonds3

About [(2S)-6-acetyl-2-methylchromen-2-yl]methyl acetate

[(2S)-6-acetyl-2-methylchromen-2-yl]methyl acetate (PubChem CID 163027916) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is [(2S)-6-acetyl-2-methylchromen-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S)-6-acetyl-2-methylchromen-2-yl]methyl acetate
PubChem CID163027916
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name[(2S)-6-acetyl-2-methylchromen-2-yl]methyl acetate
SMILESCC(=O)OC[C@]1(C)C=Cc2cc(C(C)=O)ccc2O1
InChIInChI=1S/C15H16O4/c1-10(16)12-4-5-14-13(8-12)6-7-15(3,19-14)9-18-11(2)17/h4-8H,9H2,1-3H3/t15-/m0/s1
InChIKeyOCMHIQFIJSIFDX-HNNXBMFYSA-N
XLogP2.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-6-acetyl-2-methylchromen-2-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

[2-methyl-6-(phenoxycarbonylamino)chromen-2-yl]methyl acetate
CID 142698891
(6-amino-2-methylchromen-2-yl)methyl benzoate
CID 11666500
[2-methyl-6-(thiophen-2-ylsulfonylamino)chromen-2-yl]methyl acetate
CID 11559930
[6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate
CID 11539216
(5-acetyl-3-methyl-2H-1-benzofuran-3-yl)methyl acetate
CID 101121698
1-(3-hydroxy-2,2-dimethylchromen-6-yl)ethanone
CID 132605380
[6-[(2-fluorobenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate
CID 11502583
1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea
CID 46182038
2-ethyl-2-methylchromen-6-amine
CID 69196391
(E)-5-(6-hydroxy-2-methylchromen-2-yl)-2-methylpent-2-enal
CID 45270481
1-(4-fluorophenyl)-3-[2-methyl-2-(phenylmethoxymethyl)chromen-6-yl]urea
CID 46182207
ethyl 9-(6-isocyano-2-methylchromen-2-yl)nonanoate
CID 23377957

Frequently Asked Questions

What is the IUPAC name of [(2S)-6-acetyl-2-methylchromen-2-yl]methyl acetate?
The IUPAC name of [(2S)-6-acetyl-2-methylchromen-2-yl]methyl acetate (CID 163027916) is [(2S)-6-acetyl-2-methylchromen-2-yl]methyl acetate.
What is the SMILES notation for [(2S)-6-acetyl-2-methylchromen-2-yl]methyl acetate?
The canonical SMILES for [(2S)-6-acetyl-2-methylchromen-2-yl]methyl acetate is CC(=O)OC[C@]1(C)C=Cc2cc(C(C)=O)ccc2O1.
What is the InChIKey of [(2S)-6-acetyl-2-methylchromen-2-yl]methyl acetate?
The InChIKey is OCMHIQFIJSIFDX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16O4/c1-10(16)12-4-5-14-13(8-12)6-7-15(3,19-14)9-18-11(2)17/h4-8H,9H2,1-3H3/t15-/m0/s1.
What are the key properties of [(2S)-6-acetyl-2-methylchromen-2-yl]methyl acetate?
[(2S)-6-acetyl-2-methylchromen-2-yl]methyl acetate has a molecular weight of 260.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-6-acetyl-2-methylchromen-2-yl]methyl acetate is sourced from PubChem (CID 163027916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).