10-(2-methylprop-2-enoyloxymethyl)anthracene-9-carboxylic acid

C20H16O4 — CID 129174154

IUPAC10-(2-methylprop-2-enoyloxymethyl)anthracene-9-carboxylic acid
SMILESC=C(C)C(=O)OCc1c2ccccc2c(C(=O)O)c2ccccc12
InChIInChI=1S/C20H16O4/c1-12(2)20(23)24-11-17-13-7-3-5-9-15(13)18(19(21)22)16-10-6-4-8-14(16)17/h3-10H,1,11H2,2H3,(H,21,22)
InChIKeyMGGFKNJBGMFKBT-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.31
Rot. Bonds4

About 10-(2-methylprop-2-enoyloxymethyl)anthracene-9-carboxylic acid

10-(2-methylprop-2-enoyloxymethyl)anthracene-9-carboxylic acid (PubChem CID 129174154) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is 10-(2-methylprop-2-enoyloxymethyl)anthracene-9-carboxylic acid.

Molecular Properties

Compound Name10-(2-methylprop-2-enoyloxymethyl)anthracene-9-carboxylic acid
PubChem CID129174154
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name10-(2-methylprop-2-enoyloxymethyl)anthracene-9-carboxylic acid
SMILESC=C(C)C(=O)OCc1c2ccccc2c(C(=O)O)c2ccccc12
InChIInChI=1S/C20H16O4/c1-12(2)20(23)24-11-17-13-7-3-5-9-15(13)18(19(21)22)16-10-6-4-8-14(16)17/h3-10H,1,11H2,2H3,(H,21,22)
InChIKeyMGGFKNJBGMFKBT-UHFFFAOYSA-N
XLogP4.31
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(10-phenylanthracen-9-yl)methyl 2-methylprop-2-enoate
CID 71414129
tetracen-5-ylmethyl 2-methylprop-2-enoate
CID 59584223
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
benzyl 2-methyl(113C)prop-2-enoate;benzyl 2-oxo(113C)propanoate
CID 161249019
benzyl 2-methylprop-2-enoate;butane
CID 174907722
[2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 66870935
(2-ethylphenyl)methyl 2-methylprop-2-enoate
CID 22748890
benzene-1,3-dicarboxylic acid;benzyl 2-methylprop-2-enoate
CID 70522984
ethyl 2-methylprop-2-enoate;phthalic acid
CID 66831473
benzyl 2-methylprop-2-enoate;prop-2-enamide
CID 174871125
(4-benzoylphenyl)methyl 2-methylprop-2-enoate
CID 140797450
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883

Frequently Asked Questions

What is the IUPAC name of 10-(2-methylprop-2-enoyloxymethyl)anthracene-9-carboxylic acid?
The IUPAC name of 10-(2-methylprop-2-enoyloxymethyl)anthracene-9-carboxylic acid (CID 129174154) is 10-(2-methylprop-2-enoyloxymethyl)anthracene-9-carboxylic acid.
What is the SMILES notation for 10-(2-methylprop-2-enoyloxymethyl)anthracene-9-carboxylic acid?
The canonical SMILES for 10-(2-methylprop-2-enoyloxymethyl)anthracene-9-carboxylic acid is C=C(C)C(=O)OCc1c2ccccc2c(C(=O)O)c2ccccc12.
What is the InChIKey of 10-(2-methylprop-2-enoyloxymethyl)anthracene-9-carboxylic acid?
The InChIKey is MGGFKNJBGMFKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-12(2)20(23)24-11-17-13-7-3-5-9-15(13)18(19(21)22)16-10-6-4-8-14(16)17/h3-10H,1,11H2,2H3,(H,21,22).
What are the key properties of 10-(2-methylprop-2-enoyloxymethyl)anthracene-9-carboxylic acid?
10-(2-methylprop-2-enoyloxymethyl)anthracene-9-carboxylic acid has a molecular weight of 320.34 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methylprop-2-enoyloxymethyl)anthracene-9-carboxylic acid is sourced from PubChem (CID 129174154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).