2-methylprop-2-enoyloxymethyl 5-hydroxynaphthalene-1-carboxylate

C16H14O5 — CID 129174161

IUPAC2-methylprop-2-enoyloxymethyl 5-hydroxynaphthalene-1-carboxylate
SMILESC=C(C)C(=O)OCOC(=O)c1cccc2c(O)cccc12
InChIInChI=1S/C16H14O5/c1-10(2)15(18)20-9-21-16(19)13-7-3-6-12-11(13)5-4-8-14(12)17/h3-8,17H,1,9H2,2H3
InChIKeyVGQHVLUEHUTYOR-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.78
Rot. Bonds4

About 2-methylprop-2-enoyloxymethyl 5-hydroxynaphthalene-1-carboxylate

2-methylprop-2-enoyloxymethyl 5-hydroxynaphthalene-1-carboxylate (PubChem CID 129174161) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-methylprop-2-enoyloxymethyl 5-hydroxynaphthalene-1-carboxylate.

Molecular Properties

Compound Name2-methylprop-2-enoyloxymethyl 5-hydroxynaphthalene-1-carboxylate
PubChem CID129174161
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name2-methylprop-2-enoyloxymethyl 5-hydroxynaphthalene-1-carboxylate
SMILESC=C(C)C(=O)OCOC(=O)c1cccc2c(O)cccc12
InChIInChI=1S/C16H14O5/c1-10(2)15(18)20-9-21-16(19)13-7-3-6-12-11(13)5-4-8-14(12)17/h3-8,17H,1,9H2,2H3
InChIKeyVGQHVLUEHUTYOR-UHFFFAOYSA-N
XLogP2.78
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-2-enoyloxymethyl 6,7-dihydroxynaphthalene-1-carboxylate
CID 129174183
2-methylprop-2-enoyloxymethyl thiophene-2-carboxylate
CID 20673042
ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane
CID 159507892
(5-hydroxynaphthalen-1-yl) 2-methylprop-2-eneperoxoate
CID 87079463
2-methylprop-2-enyl naphthalene-1-carboxylate
CID 22594823
2-(2-iodobutanoyloxy)ethyl 5-hydroxynaphthalene-1-carboxylate
CID 137452799
bis[2-methyl-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] benzene-1,2-dicarboxylate
CID 139753274
2-methylprop-2-enoyloxymethyl 10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anthracene-9-carboxylate
CID 89408480
bis(acetyloxymethyl 2-methylprop-2-enoate);toluene
CID 158484803
acetyl 2-hydroxybenzoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 158691957
5-(2-methylprop-2-enoyloxy)pentyl naphthalene-1-carboxylate;5-(2-phenylethenyl)benzene-1,3-diamine
CID 174584465
phenyl 5-hydroxynaphthalene-1-carboxylate
CID 19766520

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyloxymethyl 5-hydroxynaphthalene-1-carboxylate?
The IUPAC name of 2-methylprop-2-enoyloxymethyl 5-hydroxynaphthalene-1-carboxylate (CID 129174161) is 2-methylprop-2-enoyloxymethyl 5-hydroxynaphthalene-1-carboxylate.
What is the SMILES notation for 2-methylprop-2-enoyloxymethyl 5-hydroxynaphthalene-1-carboxylate?
The canonical SMILES for 2-methylprop-2-enoyloxymethyl 5-hydroxynaphthalene-1-carboxylate is C=C(C)C(=O)OCOC(=O)c1cccc2c(O)cccc12.
What is the InChIKey of 2-methylprop-2-enoyloxymethyl 5-hydroxynaphthalene-1-carboxylate?
The InChIKey is VGQHVLUEHUTYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-10(2)15(18)20-9-21-16(19)13-7-3-6-12-11(13)5-4-8-14(12)17/h3-8,17H,1,9H2,2H3.
What are the key properties of 2-methylprop-2-enoyloxymethyl 5-hydroxynaphthalene-1-carboxylate?
2-methylprop-2-enoyloxymethyl 5-hydroxynaphthalene-1-carboxylate has a molecular weight of 286.28 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyloxymethyl 5-hydroxynaphthalene-1-carboxylate is sourced from PubChem (CID 129174161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).