methyl 2-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)prop-2-enoate

C12H12O4 — CID 15040467

IUPACmethyl 2-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)prop-2-enoate
SMILESC=C(C(=O)OC)C1OC(O)c2ccccc21
InChIInChI=1S/C12H12O4/c1-7(11(13)15-2)10-8-5-3-4-6-9(8)12(14)16-10/h3-6,10,12,14H,1H2,2H3
InChIKeyLLRQAVMSQWZVOG-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.48
Rot. Bonds2

About methyl 2-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)prop-2-enoate

methyl 2-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)prop-2-enoate (PubChem CID 15040467) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is methyl 2-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)prop-2-enoate
PubChem CID15040467
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Namemethyl 2-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)prop-2-enoate
SMILESC=C(C(=O)OC)C1OC(O)c2ccccc21
InChIInChI=1S/C12H12O4/c1-7(11(13)15-2)10-8-5-3-4-6-9(8)12(14)16-10/h3-6,10,12,14H,1H2,2H3
InChIKeyLLRQAVMSQWZVOG-UHFFFAOYSA-N
XLogP1.48
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,3R)-1,3-dihydro-2-benzofuran-1,3-diol
CID 45117222
methyl 2-(9H-fluoren-9-ylmethyl)prop-2-enoate
CID 54310352
methyl (2S,3R)-3-(2-methylphenyl)oxirane-2-carboxylate
CID 14295972
dimethyl 13-oxatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene-10,11-dicarboxylate
CID 102242359
methyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate
CID 134940795
2,3,4,5,6-pentafluoro-N-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzamide
CID 13097835
methyl (2R,3R)-3-(2-bromophenyl)oxirane-2-carboxylate
CID 95212351
methyl 16-deuteriotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene-15-carboxylate
CID 13256641
methyl 2-[(2S,3R)-5-bromo-3-(diphenylphosphinothioylamino)-2,3-dihydro-1-benzofuran-2-yl]prop-2-enoate
CID 46934011
dimethyl 1,4-dihydro-2,3-benzodithiine-1,4-dicarboxylate
CID 134890371
methyl (3R)-3-[(3S)-1-hydroxy-3H-2,1-benzoxaborol-3-yl]-2-methylidenebutanoate
CID 46919868
methyl 2-benzhydrylprop-2-enoate
CID 67016942

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)prop-2-enoate?
The IUPAC name of methyl 2-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)prop-2-enoate (CID 15040467) is methyl 2-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)prop-2-enoate.
What is the SMILES notation for methyl 2-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)prop-2-enoate?
The canonical SMILES for methyl 2-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)prop-2-enoate is C=C(C(=O)OC)C1OC(O)c2ccccc21.
What is the InChIKey of methyl 2-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)prop-2-enoate?
The InChIKey is LLRQAVMSQWZVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-7(11(13)15-2)10-8-5-3-4-6-9(8)12(14)16-10/h3-6,10,12,14H,1H2,2H3.
What are the key properties of methyl 2-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)prop-2-enoate?
methyl 2-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)prop-2-enoate has a molecular weight of 220.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)prop-2-enoate is sourced from PubChem (CID 15040467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).