methyl 2-(3-hydroxyphenyl)-3-methoxyprop-2-enoate

C11H12O4 — CID 54308032

IUPACmethyl 2-(3-hydroxyphenyl)-3-methoxyprop-2-enoate
SMILESCOC=C(C(=O)OC)c1cccc(O)c1
InChIInChI=1S/C11H12O4/c1-14-7-10(11(13)15-2)8-4-3-5-9(12)6-8/h3-7,12H,1-2H3
InChIKeySIXNUYQTWRORHZ-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.55
Rot. Bonds3

About methyl 2-(3-hydroxyphenyl)-3-methoxyprop-2-enoate

methyl 2-(3-hydroxyphenyl)-3-methoxyprop-2-enoate (PubChem CID 54308032) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is methyl 2-(3-hydroxyphenyl)-3-methoxyprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxyphenyl)-3-methoxyprop-2-enoate
PubChem CID54308032
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Namemethyl 2-(3-hydroxyphenyl)-3-methoxyprop-2-enoate
SMILESCOC=C(C(=O)OC)c1cccc(O)c1
InChIInChI=1S/C11H12O4/c1-14-7-10(11(13)15-2)8-4-3-5-9(12)6-8/h3-7,12H,1-2H3
InChIKeySIXNUYQTWRORHZ-UHFFFAOYSA-N
XLogP1.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3-hydroxyphenyl)-2-oxoacetate
CID 19099743
methyl (E)-2-[3-(dimethoxyphosphorylmethyl)phenyl]-3-methoxyprop-2-enoate
CID 10686700
methyl (E)-3-methoxy-2-(4-methylphenyl)prop-2-enoate
CID 11074540
methyl (Z)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-3-methoxyprop-2-enoate
CID 14857815
methyl (E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-3-methoxyprop-2-enoate
CID 10925060
methyl 3-methoxy-2-naphthalen-1-ylprop-2-enoate
CID 57075393
1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606
methyl (Z)-2-(2-benzoylthiophen-3-yl)-3-methoxyprop-2-enoate
CID 67883668
methyl (E)-2-(3-bromo-1-benzothiophen-5-yl)-3-methoxyprop-2-enoate
CID 166823964
2-[(Z)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]benzoic acid
CID 12680860
(E)-2-(7-hydroxynaphthalen-1-yl)-3-methoxyprop-2-enoic acid
CID 67636725
2-(7-hydroxynaphthalen-1-yl)-3-methoxyprop-2-enoic acid
CID 54443901

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxyphenyl)-3-methoxyprop-2-enoate?
The IUPAC name of methyl 2-(3-hydroxyphenyl)-3-methoxyprop-2-enoate (CID 54308032) is methyl 2-(3-hydroxyphenyl)-3-methoxyprop-2-enoate.
What is the SMILES notation for methyl 2-(3-hydroxyphenyl)-3-methoxyprop-2-enoate?
The canonical SMILES for methyl 2-(3-hydroxyphenyl)-3-methoxyprop-2-enoate is COC=C(C(=O)OC)c1cccc(O)c1.
What is the InChIKey of methyl 2-(3-hydroxyphenyl)-3-methoxyprop-2-enoate?
The InChIKey is SIXNUYQTWRORHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-14-7-10(11(13)15-2)8-4-3-5-9(12)6-8/h3-7,12H,1-2H3.
What are the key properties of methyl 2-(3-hydroxyphenyl)-3-methoxyprop-2-enoate?
methyl 2-(3-hydroxyphenyl)-3-methoxyprop-2-enoate has a molecular weight of 208.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxyphenyl)-3-methoxyprop-2-enoate is sourced from PubChem (CID 54308032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).