benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate

C13H16O5 — CID 160874005

IUPACbenzoic acid;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCO.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C6H10O3/c8-7(9)6-4-2-1-3-5-6;1-5(2)6(8)9-4-3-7/h1-5H,(H,8,9);7H,1,3-4H2,2H3
InChIKeySMDFWGSMWVJRBP-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.48
Rot. Bonds4

About benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate

benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate (PubChem CID 160874005) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebenzoic acid;2-hydroxyethyl 2-methylprop-2-enoate
PubChem CID160874005
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Namebenzoic acid;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCO.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.C6H10O3/c8-7(9)6-4-2-1-3-5-6;1-5(2)6(8)9-4-3-7/h1-5H,(H,8,9);7H,1,3-4H2,2H3
InChIKeySMDFWGSMWVJRBP-UHFFFAOYSA-N
XLogP1.48
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene
CID 70268341
benzoic acid;2,2-bis(hydroxymethyl)butyl 2-methylprop-2-enoate
CID 67276535
benzoic acid;bis(methyl 2-methylprop-2-enoate)
CID 91475407
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
CID 22572510
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
CID 161086625
tert-butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene
CID 70370105
benzoic acid;6-(4-phenylphenoxy)hexyl 2-methylprop-2-enoate
CID 162035072
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 87803089
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
benzoic acid;2-(2-hydroxyethoxy)ethanol
CID 57375611
acetyl 2-hydroxybenzoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 158691957

Frequently Asked Questions

What is the IUPAC name of benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate?
The IUPAC name of benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate (CID 160874005) is benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate?
The canonical SMILES for benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCO.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate?
The InChIKey is SMDFWGSMWVJRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C6H10O3/c8-7(9)6-4-2-1-3-5-6;1-5(2)6(8)9-4-3-7/h1-5H,(H,8,9);7H,1,3-4H2,2H3.
What are the key properties of benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate?
benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate has a molecular weight of 252.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 160874005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).