2-(6-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid

C14H16O5 — CID 82019251

IUPAC2-(6-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid
SMILESCCOc1ccc2c(c1)C(=O)CC(C)(CC(=O)O)O2
InChIInChI=1S/C14H16O5/c1-3-18-9-4-5-12-10(6-9)11(15)7-14(2,19-12)8-13(16)17/h4-6H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyVCNXKMJXCOWYSQ-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.28
Rot. Bonds4

About 2-(6-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid

2-(6-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid (PubChem CID 82019251) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(6-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid
PubChem CID82019251
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name2-(6-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid
SMILESCCOc1ccc2c(c1)C(=O)CC(C)(CC(=O)O)O2
InChIInChI=1S/C14H16O5/c1-3-18-9-4-5-12-10(6-9)11(15)7-14(2,19-12)8-13(16)17/h4-6H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyVCNXKMJXCOWYSQ-UHFFFAOYSA-N
XLogP2.28
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)propanoic acid
CID 82019272
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CID 82019255
2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one
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6-methoxy-2-methyl-2-propyl-3H-chromen-4-one
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N-(4-ethoxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
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6-acetyl-2-(hydroxymethyl)-2-methyl-3H-chromen-4-one
CID 102064909
(2R)-6-acetyl-2-(hydroxymethyl)-2-methyl-3H-chromen-4-one
CID 162851495
6-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]-2,2-dimethyl-3H-chromen-4-one
CID 4651128
(2S)-6-amino-2-ethyl-2-methyl-3H-chromen-4-one
CID 25417253
2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid
CID 75357275
7-ethoxy-3,4-dihydro-2H-1-benzoxepin-5-one
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3-acetyl-7-ethoxy-3-(trifluoromethyl)-4H-isochromen-1-one
CID 165441746

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid?
The IUPAC name of 2-(6-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid (CID 82019251) is 2-(6-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid.
What is the SMILES notation for 2-(6-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid?
The canonical SMILES for 2-(6-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid is CCOc1ccc2c(c1)C(=O)CC(C)(CC(=O)O)O2.
What is the InChIKey of 2-(6-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid?
The InChIKey is VCNXKMJXCOWYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-3-18-9-4-5-12-10(6-9)11(15)7-14(2,19-12)8-13(16)17/h4-6H,3,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(6-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid?
2-(6-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid has a molecular weight of 264.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid is sourced from PubChem (CID 82019251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).