methyl 2-[(3-hydroxyphenyl)methyl]prop-2-enoate

C11H12O3 — CID 117266981

IUPACmethyl 2-[(3-hydroxyphenyl)methyl]prop-2-enoate
SMILESC=C(Cc1cccc(O)c1)C(=O)OC
InChIInChI=1S/C11H12O3/c1-8(11(13)14-2)6-9-4-3-5-10(12)7-9/h3-5,7,12H,1,6H2,2H3
InChIKeyUVWQPKRDSVVVBP-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.66
Rot. Bonds3

About methyl 2-[(3-hydroxyphenyl)methyl]prop-2-enoate

methyl 2-[(3-hydroxyphenyl)methyl]prop-2-enoate (PubChem CID 117266981) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is methyl 2-[(3-hydroxyphenyl)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(3-hydroxyphenyl)methyl]prop-2-enoate
PubChem CID117266981
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Namemethyl 2-[(3-hydroxyphenyl)methyl]prop-2-enoate
SMILESC=C(Cc1cccc(O)c1)C(=O)OC
InChIInChI=1S/C11H12O3/c1-8(11(13)14-2)6-9-4-3-5-10(12)7-9/h3-5,7,12H,1,6H2,2H3
InChIKeyUVWQPKRDSVVVBP-UHFFFAOYSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.66
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 2-benzylprop-2-enoate
CID 575761
3-(2-hydroxyprop-2-enyl)phenol
CID 89392909
3-(2-methylprop-2-enyl)phenol
CID 91657296
2-(chloromethyl)prop-2-enoic acid;methyl 2-benzylprop-2-enoate
CID 175543990
methyl 3-(3-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
CID 90881526
N-ethoxy-2-(3-hydroxyphenyl)acetamide
CID 62039263
but-2-ene;methyl 2-benzylprop-2-enoate;2-methylprop-2-enoic acid
CID 174894850
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885
2-[[3-[3-(methoxymethyl)-2-oxobut-3-enyl]phenyl]methyl]-4-methylpent-1-en-3-one
CID 166698618
methyl 4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzoate
CID 59421998
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one
CID 116577080

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-hydroxyphenyl)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[(3-hydroxyphenyl)methyl]prop-2-enoate (CID 117266981) is methyl 2-[(3-hydroxyphenyl)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(3-hydroxyphenyl)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[(3-hydroxyphenyl)methyl]prop-2-enoate is C=C(Cc1cccc(O)c1)C(=O)OC.
What is the InChIKey of methyl 2-[(3-hydroxyphenyl)methyl]prop-2-enoate?
The InChIKey is UVWQPKRDSVVVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-8(11(13)14-2)6-9-4-3-5-10(12)7-9/h3-5,7,12H,1,6H2,2H3.
What are the key properties of methyl 2-[(3-hydroxyphenyl)methyl]prop-2-enoate?
methyl 2-[(3-hydroxyphenyl)methyl]prop-2-enoate has a molecular weight of 192.21 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-hydroxyphenyl)methyl]prop-2-enoate is sourced from PubChem (CID 117266981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).