2-benzofuran-5-ylmethyl prop-2-enoate

C12H10O3 — CID 174509033

IUPAC2-benzofuran-5-ylmethyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc2cocc2c1
InChIInChI=1S/C12H10O3/c1-2-12(13)15-6-9-3-4-10-7-14-8-11(10)5-9/h2-5,7-8H,1,6H2
InChIKeyPAACCKCSULBCRX-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.66
Rot. Bonds3

About 2-benzofuran-5-ylmethyl prop-2-enoate

2-benzofuran-5-ylmethyl prop-2-enoate (PubChem CID 174509033) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-benzofuran-5-ylmethyl prop-2-enoate.

Molecular Properties

Compound Name2-benzofuran-5-ylmethyl prop-2-enoate
PubChem CID174509033
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name2-benzofuran-5-ylmethyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc2cocc2c1
InChIInChI=1S/C12H10O3/c1-2-12(13)15-6-9-3-4-10-7-14-8-11(10)5-9/h2-5,7-8H,1,6H2
InChIKeyPAACCKCSULBCRX-UHFFFAOYSA-N
XLogP2.66
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

anthracen-2-ylmethyl prop-2-enoate
CID 163424587
CID 159481428
CID 159481428
[4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate
CID 171722962
dibenzofuran-3-ylmethyl prop-2-enoate
CID 90268477
(6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate
CID 91028345
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethyl)phenyl]phenyl]methyl prop-2-enoate
CID 161314193
(4-methylsulfanylphenyl)methyl prop-2-enoate
CID 171485836
[4-[2-[methyl(trimethylsilyloxy)silyl]ethyl]phenyl]methyl prop-2-enoate
CID 173310321
[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] prop-2-enoate
CID 121370037
[3-[(trimethyl-λ4-sulfanyl)methyl]phenyl]methyl prop-2-enoate
CID 138480975
[4-[[6-[difluoro-[4-(prop-2-enoyloxymethyl)phenyl]methoxy]naphthalen-2-yl]oxy-difluoromethyl]phenyl]methyl prop-2-enoate;ethane
CID 123420618
2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate
CID 118333634

Frequently Asked Questions

What is the IUPAC name of 2-benzofuran-5-ylmethyl prop-2-enoate?
The IUPAC name of 2-benzofuran-5-ylmethyl prop-2-enoate (CID 174509033) is 2-benzofuran-5-ylmethyl prop-2-enoate.
What is the SMILES notation for 2-benzofuran-5-ylmethyl prop-2-enoate?
The canonical SMILES for 2-benzofuran-5-ylmethyl prop-2-enoate is C=CC(=O)OCc1ccc2cocc2c1.
What is the InChIKey of 2-benzofuran-5-ylmethyl prop-2-enoate?
The InChIKey is PAACCKCSULBCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-2-12(13)15-6-9-3-4-10-7-14-8-11(10)5-9/h2-5,7-8H,1,6H2.
What are the key properties of 2-benzofuran-5-ylmethyl prop-2-enoate?
2-benzofuran-5-ylmethyl prop-2-enoate has a molecular weight of 202.21 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzofuran-5-ylmethyl prop-2-enoate is sourced from PubChem (CID 174509033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).