1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone

C15H18O4 — CID 66573258

IUPAC1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone
SMILESCOc1cc2c(c(OC)c1C(C)=O)C=CC(C)(C)O2
InChIInChI=1S/C15H18O4/c1-9(16)13-12(17-4)8-11-10(14(13)18-5)6-7-15(2,3)19-11/h6-8H,1-5H3
InChIKeyGMCUHKDMDXQDEQ-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.09
Rot. Bonds3

About 1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone

1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone (PubChem CID 66573258) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone.

Molecular Properties

Compound Name1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone
PubChem CID66573258
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone
SMILESCOc1cc2c(c(OC)c1C(C)=O)C=CC(C)(C)O2
InChIInChI=1S/C15H18O4/c1-9(16)13-12(17-4)8-11-10(14(13)18-5)6-7-15(2,3)19-11/h6-8H,1-5H3
InChIKeyGMCUHKDMDXQDEQ-UHFFFAOYSA-N
XLogP3.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5,7-dimethoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]ethanone
CID 126659202
methyl 7-hydroxy-5-methoxy-2,2-dimethylchromene-6-carboxylate
CID 166070185
1-(5-methoxy-2,2-dimethylchromen-6-yl)ethanone
CID 10879004
1-(7-hydroxy-2,2,5-trimethylchromen-6-yl)ethanone
CID 13462851
1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-6-yl)-3-phenylprop-2-en-1-one
CID 73195975
[3-acetyloxy-4-(4-methoxy-7,7-dimethylfuro[3,2-g]chromen-2-yl)phenyl] acetate
CID 163028461
(6-acetyl-2,2-dimethylchromen-5-yl) acetate
CID 162951359
1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one
CID 118199588
3-(1,3-benzodioxol-5-yl)-1-(7-methoxy-2,2-dimethyl-5-nitrosochromen-6-yl)prop-2-en-1-one
CID 123501962
1-(5,6,7-trihydroxy-2,2-dimethylchromen-8-yl)ethanone
CID 150032259
[2-acetyl-4-[(8-acetyl-5,7-diacetyloxy-2,2-dimethylchromen-6-yl)methyl]-3-acetyloxy-5-methoxy-6-methylphenyl] acetate
CID 44593368
4-(3,4-dimethoxyphenoxy)-1-(5-methoxy-2,2-dimethylchromen-6-yl)but-2-yn-1-one
CID 11292723

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone?
The IUPAC name of 1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone (CID 66573258) is 1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone.
What is the SMILES notation for 1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone?
The canonical SMILES for 1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone is COc1cc2c(c(OC)c1C(C)=O)C=CC(C)(C)O2.
What is the InChIKey of 1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone?
The InChIKey is GMCUHKDMDXQDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-9(16)13-12(17-4)8-11-10(14(13)18-5)6-7-15(2,3)19-11/h6-8H,1-5H3.
What are the key properties of 1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone?
1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone has a molecular weight of 262.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone is sourced from PubChem (CID 66573258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).