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

C11H12O4 — CID 175134409

IUPACmethyl 3-[(2-hydroxyphenyl)methoxy]prop-2-enoate
SMILESCOC(=O)C=COCc1ccccc1O
InChIInChI=1S/C11H12O4/c1-14-11(13)6-7-15-8-9-4-2-3-5-10(9)12/h2-7,12H,8H2,1H3
InChIKeyRSOFHPKOKBRJKV-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.60
Rot. Bonds4

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

methyl 3-[(2-hydroxyphenyl)methoxy]prop-2-enoate (PubChem CID 175134409) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is methyl 3-[(2-hydroxyphenyl)methoxy]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[(2-hydroxyphenyl)methoxy]prop-2-enoate
PubChem CID175134409
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Namemethyl 3-[(2-hydroxyphenyl)methoxy]prop-2-enoate
SMILESCOC(=O)C=COCc1ccccc1O
InChIInChI=1S/C11H12O4/c1-14-11(13)6-7-15-8-9-4-2-3-5-10(9)12/h2-7,12H,8H2,1H3
InChIKeyRSOFHPKOKBRJKV-UHFFFAOYSA-N
XLogP1.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.60
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 (E)-3-[(E)-3-phenylprop-2-enoxy]prop-2-enoate
CID 170900338
methyl 3-phenoxyprop-2-enoate
CID 74041310
2-(2-methoxyethoxymethyl)phenol
CID 21397612
methyl (E)-3-[2-(chloromethyl)phenyl]prop-2-enoate
CID 119094981
methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
CID 43723616
methyl (E,4S,5S)-5-hydroxy-4-(2-hydroxyphenyl)hex-2-enoate
CID 10354086
(E)-4-phenylmethoxybut-3-en-2-one
CID 5368274
[(E)-5-(2-hydroxyphenyl)pent-2-enyl] methyl carbonate
CID 101015605
2-(2-hydroxyphenyl)ethyl methyl carbonate
CID 102381478
2-(2-methoxyethoxymethoxymethyl)phenol
CID 23251146
3-(2-hydroxyphenyl)-2-methoxypropanal
CID 105438622
4-O-[[4-[[(Z)-4-methoxy-4-oxobut-2-enoyl]oxymethyl]phenyl]methyl] 1-O-methyl (Z)-but-2-enedioate
CID 102439489

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-hydroxyphenyl)methoxy]prop-2-enoate?
The IUPAC name of methyl 3-[(2-hydroxyphenyl)methoxy]prop-2-enoate (CID 175134409) is methyl 3-[(2-hydroxyphenyl)methoxy]prop-2-enoate.
What is the SMILES notation for methyl 3-[(2-hydroxyphenyl)methoxy]prop-2-enoate?
The canonical SMILES for methyl 3-[(2-hydroxyphenyl)methoxy]prop-2-enoate is COC(=O)C=COCc1ccccc1O.
What is the InChIKey of methyl 3-[(2-hydroxyphenyl)methoxy]prop-2-enoate?
The InChIKey is RSOFHPKOKBRJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-14-11(13)6-7-15-8-9-4-2-3-5-10(9)12/h2-7,12H,8H2,1H3.
What are the key properties of methyl 3-[(2-hydroxyphenyl)methoxy]prop-2-enoate?
methyl 3-[(2-hydroxyphenyl)methoxy]prop-2-enoate has a molecular weight of 208.21 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-hydroxyphenyl)methoxy]prop-2-enoate is sourced from PubChem (CID 175134409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).