hydroxymethyl 2-phenylprop-2-enoate

C10H10O3 — CID 174271126

IUPAChydroxymethyl 2-phenylprop-2-enoate
SMILESC=C(C(=O)OCO)c1ccccc1
InChIInChI=1S/C10H10O3/c1-8(10(12)13-7-11)9-5-3-2-4-6-9/h2-6,11H,1,7H2
InChIKeyJVUPXEJKHSUTRY-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.19
Rot. Bonds3

About hydroxymethyl 2-phenylprop-2-enoate

hydroxymethyl 2-phenylprop-2-enoate (PubChem CID 174271126) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is hydroxymethyl 2-phenylprop-2-enoate.

Molecular Properties

Compound Namehydroxymethyl 2-phenylprop-2-enoate
PubChem CID174271126
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Namehydroxymethyl 2-phenylprop-2-enoate
SMILESC=C(C(=O)OCO)c1ccccc1
InChIInChI=1S/C10H10O3/c1-8(10(12)13-7-11)9-5-3-2-4-6-9/h2-6,11H,1,7H2
InChIKeyJVUPXEJKHSUTRY-UHFFFAOYSA-N
XLogP1.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloroethyl 2-phenylprop-2-enoate
CID 56997241
ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid
CID 70039514
potassium hydroxymethyl benzoate
CID 22993318
ethoxyethane;methyl 2-phenylprop-2-enoate
CID 174753576
tert-butyl 2-phenylprop-2-enoate;carbamic acid
CID 174820480
CID 159091938
CID 159091938
2-(2-phenylprop-2-enoyloxy)benzoic acid
CID 175331821
2-benzylprop-2-enoic acid;ethyl acetate;bis(ethyl 2-phenylprop-2-enoate)
CID 174947612
ethane;2-phenylprop-2-enoic acid
CID 142472843
(2-ethyl-2-phenylhexyl) 2-phenylprop-2-enoate
CID 66935916
1,1,2,2,3,3,3-heptafluoropropyl 2-phenylprop-2-enoate
CID 140592112
benzyl 2-phenylprop-2-enoate;ethyl 2-(4-methylphenyl)prop-2-enoate;ethyl 2-phenylprop-2-enoate;methane;methyl 2-phenylprop-2-enoate
CID 160594780

Frequently Asked Questions

What is the IUPAC name of hydroxymethyl 2-phenylprop-2-enoate?
The IUPAC name of hydroxymethyl 2-phenylprop-2-enoate (CID 174271126) is hydroxymethyl 2-phenylprop-2-enoate.
What is the SMILES notation for hydroxymethyl 2-phenylprop-2-enoate?
The canonical SMILES for hydroxymethyl 2-phenylprop-2-enoate is C=C(C(=O)OCO)c1ccccc1.
What is the InChIKey of hydroxymethyl 2-phenylprop-2-enoate?
The InChIKey is JVUPXEJKHSUTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-8(10(12)13-7-11)9-5-3-2-4-6-9/h2-6,11H,1,7H2.
What are the key properties of hydroxymethyl 2-phenylprop-2-enoate?
hydroxymethyl 2-phenylprop-2-enoate has a molecular weight of 178.19 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethyl 2-phenylprop-2-enoate is sourced from PubChem (CID 174271126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).