(2-hydroxyphenyl) 2-(2-propanoyloxyphenyl)prop-2-enoate;hydrochloride

C18H17ClO5 — CID 141066516

IUPAC(2-hydroxyphenyl) 2-(2-propanoyloxyphenyl)prop-2-enoate;hydrochloride
SMILESC=C(C(=O)Oc1ccccc1O)c1ccccc1OC(=O)CC.Cl
InChIInChI=1S/C18H16O5.ClH/c1-3-17(20)22-15-10-6-4-8-13(15)12(2)18(21)23-16-11-7-5-9-14(16)19;/h4-11,19H,2-3H2,1H3;1H
InChIKeyFCCYPKUUCMLJAT-UHFFFAOYSA-N
MW348.78 g/mol
LogP3.75
Rot. Bonds5

About (2-hydroxyphenyl) 2-(2-propanoyloxyphenyl)prop-2-enoate;hydrochloride

(2-hydroxyphenyl) 2-(2-propanoyloxyphenyl)prop-2-enoate;hydrochloride (PubChem CID 141066516) has the molecular formula C18H17ClO5 and a molecular weight of 348.78 g/mol. Its IUPAC name is (2-hydroxyphenyl) 2-(2-propanoyloxyphenyl)prop-2-enoate;hydrochloride.

Molecular Properties

Compound Name(2-hydroxyphenyl) 2-(2-propanoyloxyphenyl)prop-2-enoate;hydrochloride
PubChem CID141066516
Molecular FormulaC18H17ClO5
Molecular Weight348.78 g/mol
Exact Mass348.08
IUPAC Name(2-hydroxyphenyl) 2-(2-propanoyloxyphenyl)prop-2-enoate;hydrochloride
SMILESC=C(C(=O)Oc1ccccc1O)c1ccccc1OC(=O)CC.Cl
InChIInChI=1S/C18H16O5.ClH/c1-3-17(20)22-15-10-6-4-8-13(15)12(2)18(21)23-16-11-7-5-9-14(16)19;/h4-11,19H,2-3H2,1H3;1H
InChIKeyFCCYPKUUCMLJAT-UHFFFAOYSA-N
XLogP3.75
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.78
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-propanoyloxybenzoate
CID 23200401
[2-(2-sulfanylacetyl)phenyl] propanoate
CID 87997149
dodecyl 2-propanoyloxybenzoate
CID 173224376
(2-hydroxyphenyl) 2-hydroxyacetate
CID 54356800
[2-(hydroxymethyl)phenyl] propanoate
CID 57284127
2-(2-phenylprop-2-enoyloxy)benzoic acid
CID 175331821
[2-(2-butanoyloxybenzoyl)phenyl] butanoate
CID 139701045
[2-[(2-methylpropan-2-yl)oxy]phenyl] propanoate
CID 175303844
(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 162511991
(2-hydroxyphenyl) 2-phenylacetate
CID 91699546
(2-propanoyloxyphenyl) 2-methylbutanoate
CID 90024366

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) 2-(2-propanoyloxyphenyl)prop-2-enoate;hydrochloride?
The IUPAC name of (2-hydroxyphenyl) 2-(2-propanoyloxyphenyl)prop-2-enoate;hydrochloride (CID 141066516) is (2-hydroxyphenyl) 2-(2-propanoyloxyphenyl)prop-2-enoate;hydrochloride.
What is the SMILES notation for (2-hydroxyphenyl) 2-(2-propanoyloxyphenyl)prop-2-enoate;hydrochloride?
The canonical SMILES for (2-hydroxyphenyl) 2-(2-propanoyloxyphenyl)prop-2-enoate;hydrochloride is C=C(C(=O)Oc1ccccc1O)c1ccccc1OC(=O)CC.Cl.
What is the InChIKey of (2-hydroxyphenyl) 2-(2-propanoyloxyphenyl)prop-2-enoate;hydrochloride?
The InChIKey is FCCYPKUUCMLJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5.ClH/c1-3-17(20)22-15-10-6-4-8-13(15)12(2)18(21)23-16-11-7-5-9-14(16)19;/h4-11,19H,2-3H2,1H3;1H.
What are the key properties of (2-hydroxyphenyl) 2-(2-propanoyloxyphenyl)prop-2-enoate;hydrochloride?
(2-hydroxyphenyl) 2-(2-propanoyloxyphenyl)prop-2-enoate;hydrochloride has a molecular weight of 348.78 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl) 2-(2-propanoyloxyphenyl)prop-2-enoate;hydrochloride is sourced from PubChem (CID 141066516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).