methyl (E)-3-(2-hydroxyphenyl)but-2-enoate

C11H12O3 — CID 59078190

IUPACmethyl (E)-3-(2-hydroxyphenyl)but-2-enoate
SMILESCOC(=O)/C=C(\C)c1ccccc1O
InChIInChI=1S/C11H12O3/c1-8(7-11(13)14-2)9-5-3-4-6-10(9)12/h3-7,12H,1-2H3/b8-7+
InChIKeyHFMPDOHZIHKJPN-BQYQJAHWSA-N
MW192.21 g/mol
LogP1.97
Rot. Bonds2

About methyl (E)-3-(2-hydroxyphenyl)but-2-enoate

methyl (E)-3-(2-hydroxyphenyl)but-2-enoate (PubChem CID 59078190) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is methyl (E)-3-(2-hydroxyphenyl)but-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(2-hydroxyphenyl)but-2-enoate
PubChem CID59078190
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Namemethyl (E)-3-(2-hydroxyphenyl)but-2-enoate
SMILESCOC(=O)/C=C(\C)c1ccccc1O
InChIInChI=1S/C11H12O3/c1-8(7-11(13)14-2)9-5-3-4-6-10(9)12/h3-7,12H,1-2H3/b8-7+
InChIKeyHFMPDOHZIHKJPN-BQYQJAHWSA-N
XLogP1.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-phenylbut-2-enoate
CID 5354835
2-hydroxybenzoic acid;methyl acetate
CID 157381538
methyl 3-pyren-1-ylbut-2-enoate
CID 3297652
methyl 3-naphthalen-2-ylbut-2-enoate
CID 54449907
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one
CID 15261544
2-(1-nitroprop-1-en-2-yl)phenol
CID 54205624
methyl 2-hydroxybenzoate;urea
CID 174888687
methyl 3-pyridin-4-ylbut-2-enoate
CID 134690655
methyl (E)-3-(4-methoxyphenyl)but-2-enoate
CID 11074539
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(2-hydroxyphenyl)but-2-enoate?
The IUPAC name of methyl (E)-3-(2-hydroxyphenyl)but-2-enoate (CID 59078190) is methyl (E)-3-(2-hydroxyphenyl)but-2-enoate.
What is the SMILES notation for methyl (E)-3-(2-hydroxyphenyl)but-2-enoate?
The canonical SMILES for methyl (E)-3-(2-hydroxyphenyl)but-2-enoate is COC(=O)/C=C(\C)c1ccccc1O.
What is the InChIKey of methyl (E)-3-(2-hydroxyphenyl)but-2-enoate?
The InChIKey is HFMPDOHZIHKJPN-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H12O3/c1-8(7-11(13)14-2)9-5-3-4-6-10(9)12/h3-7,12H,1-2H3/b8-7+.
What are the key properties of methyl (E)-3-(2-hydroxyphenyl)but-2-enoate?
methyl (E)-3-(2-hydroxyphenyl)but-2-enoate has a molecular weight of 192.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(2-hydroxyphenyl)but-2-enoate is sourced from PubChem (CID 59078190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).