6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride

C14H11ClO4 — CID 66781745

IUPAC6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride
SMILESC=CC(=O)Oc1ccc2cc(C(=O)O)ccc2c1.Cl
InChIInChI=1S/C14H10O4.ClH/c1-2-13(15)18-12-6-5-9-7-11(14(16)17)4-3-10(9)8-12;/h2-8H,1H2,(H,16,17);1H
InChIKeyGSKRVGUOWWWFFX-UHFFFAOYSA-N
MW278.69 g/mol
LogP3.05
Rot. Bonds3

About 6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride

6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride (PubChem CID 66781745) has the molecular formula C14H11ClO4 and a molecular weight of 278.69 g/mol. Its IUPAC name is 6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride
PubChem CID66781745
Molecular FormulaC14H11ClO4
Molecular Weight278.69 g/mol
Exact Mass278.03
IUPAC Name6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride
SMILESC=CC(=O)Oc1ccc2cc(C(=O)O)ccc2c1.Cl
InChIInChI=1S/C14H10O4.ClH/c1-2-13(15)18-12-6-5-9-7-11(14(16)17)4-3-10(9)8-12;/h2-8H,1H2,(H,16,17);1H
InChIKeyGSKRVGUOWWWFFX-UHFFFAOYSA-N
XLogP3.05
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
2-methyl-4-prop-2-enoyloxybenzoic acid
CID 151032706
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
(4-prop-2-enoyloxyphenyl) 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate
CID 118282452
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863
[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 6-prop-2-enoyloxynaphthalene-2-carboxylate;ethane;6-prop-2-enoyloxynaphthalene-2-carboxylic acid
CID 145312732
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
6-prop-1-enoxynaphthalene-2-carboxylic acid
CID 57123185
[6,8-di(prop-2-enoyloxy)naphthalen-2-yl] prop-2-enoate
CID 163762483
[6-[4-(N-phenylanilino)-N-(6-prop-2-enoyloxynaphthalen-2-yl)anilino]naphthalen-2-yl] prop-2-enoate
CID 58520027

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride?
The IUPAC name of 6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride (CID 66781745) is 6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride?
The canonical SMILES for 6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride is C=CC(=O)Oc1ccc2cc(C(=O)O)ccc2c1.Cl.
What is the InChIKey of 6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride?
The InChIKey is GSKRVGUOWWWFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4.ClH/c1-2-13(15)18-12-6-5-9-7-11(14(16)17)4-3-10(9)8-12;/h2-8H,1H2,(H,16,17);1H.
What are the key properties of 6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride?
6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride has a molecular weight of 278.69 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enoyloxynaphthalene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 66781745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).