methyl 2-[4-(furan-2-yl)phenyl]acetate

C13H12O3 — CID 168524506

IUPACmethyl 2-[4-(furan-2-yl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccco2)cc1
InChIInChI=1S/C13H12O3/c1-15-13(14)9-10-4-6-11(7-5-10)12-3-2-8-16-12/h2-8H,9H2,1H3
InChIKeySKDPEPWBTRKESW-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.66
Rot. Bonds3

About methyl 2-[4-(furan-2-yl)phenyl]acetate

methyl 2-[4-(furan-2-yl)phenyl]acetate (PubChem CID 168524506) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 2-[4-(furan-2-yl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(furan-2-yl)phenyl]acetate
PubChem CID168524506
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Namemethyl 2-[4-(furan-2-yl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccco2)cc1
InChIInChI=1S/C13H12O3/c1-15-13(14)9-10-4-6-11(7-5-10)12-3-2-8-16-12/h2-8H,9H2,1H3
InChIKeySKDPEPWBTRKESW-UHFFFAOYSA-N
XLogP2.66
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(furan-2-yl)phenyl]acetate?
The IUPAC name of methyl 2-[4-(furan-2-yl)phenyl]acetate (CID 168524506) is methyl 2-[4-(furan-2-yl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(furan-2-yl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(furan-2-yl)phenyl]acetate is COC(=O)Cc1ccc(-c2ccco2)cc1.
What is the InChIKey of methyl 2-[4-(furan-2-yl)phenyl]acetate?
The InChIKey is SKDPEPWBTRKESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-15-13(14)9-10-4-6-11(7-5-10)12-3-2-8-16-12/h2-8H,9H2,1H3.
What are the key properties of methyl 2-[4-(furan-2-yl)phenyl]acetate?
methyl 2-[4-(furan-2-yl)phenyl]acetate has a molecular weight of 216.24 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 methyl 2-[4-(furan-2-yl)phenyl]acetate is sourced from PubChem (CID 168524506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).