prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate

C17H16O3 — CID 90322329

IUPACprop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate
SMILESC=CCOC(=O)c1ccc2c(CC=C)c(O)ccc2c1
InChIInChI=1S/C17H16O3/c1-3-5-15-14-8-6-13(17(19)20-10-4-2)11-12(14)7-9-16(15)18/h3-4,6-9,11,18H,1-2,5,10H2
InChIKeyQHKMMVGCZMNXKR-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.62
Rot. Bonds5

About prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate

prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate (PubChem CID 90322329) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate
PubChem CID90322329
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Nameprop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate
SMILESC=CCOC(=O)c1ccc2c(CC=C)c(O)ccc2c1
InChIInChI=1S/C17H16O3/c1-3-5-15-14-8-6-13(17(19)20-10-4-2)11-12(14)7-9-16(15)18/h3-4,6-9,11,18H,1-2,5,10H2
InChIKeyQHKMMVGCZMNXKR-UHFFFAOYSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate;prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate
CID 160520654
prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate
CID 90322332
ethane;ethene;methyl 5-ethyl-6-hydroxynaphthalene-2-carboxylate
CID 144537002
1-prop-2-enylanthracen-2-ol
CID 175294805
prop-2-enyl 4-hydroxy-3-[2-[(2-hydroxy-5-prop-2-enoxycarbonylphenyl)methylideneamino]ethyliminomethyl]benzoate
CID 136778163
benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate
CID 175510564
bis(prop-2-enyl) 2,3-bis(prop-2-enyl)benzene-1,4-dicarboxylate
CID 18996410
prop-2-enyl 4-(4-prop-2-enoxycarbonylbenzoyl)benzoate
CID 118619511
prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate
CID 58125258
4-prop-2-enoxycarbonylbenzoic acid
CID 18349855
1-(7-prop-2-enoxycarbonylnaphthalen-2-yl)ethylphosphonous acid
CID 168981668
prop-2-enyl 7-(diethoxyphosphorylmethyl)naphthalene-2-carboxylate
CID 168982141

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate?
The IUPAC name of prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate (CID 90322329) is prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate.
What is the SMILES notation for prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate?
The canonical SMILES for prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate is C=CCOC(=O)c1ccc2c(CC=C)c(O)ccc2c1.
What is the InChIKey of prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate?
The InChIKey is QHKMMVGCZMNXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-3-5-15-14-8-6-13(17(19)20-10-4-2)11-12(14)7-9-16(15)18/h3-4,6-9,11,18H,1-2,5,10H2.
What are the key properties of prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate?
prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 6-hydroxy-5-prop-2-enylnaphthalene-2-carboxylate is sourced from PubChem (CID 90322329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).