[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate

C19H16O5 — CID 58431996

IUPAC[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate
SMILESCOc1cc(-c2ccco2)cc(OC)c1OC(=O)c1ccccc1
InChIInChI=1S/C19H16O5/c1-21-16-11-14(15-9-6-10-23-15)12-17(22-2)18(16)24-19(20)13-7-4-3-5-8-13/h3-12H,1-2H3
InChIKeyHLLJGBXQABOJTR-UHFFFAOYSA-N
MW324.33 g/mol
LogP4.18
Rot. Bonds5

About [4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate

[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate (PubChem CID 58431996) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is [4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate.

Molecular Properties

Compound Name[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate
PubChem CID58431996
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate
SMILESCOc1cc(-c2ccco2)cc(OC)c1OC(=O)c1ccccc1
InChIInChI=1S/C19H16O5/c1-21-16-11-14(15-9-6-10-23-15)12-17(22-2)18(16)24-19(20)13-7-4-3-5-8-13/h3-12H,1-2H3
InChIKeyHLLJGBXQABOJTR-UHFFFAOYSA-N
XLogP4.18
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dibenzoyloxy-5-methoxybenzoic acid
CID 90121898
4-(furan-2-yl)-2-methoxybenzoic acid
CID 53224787
(2-benzoyl-4,6-dimethoxyphenyl) benzoate
CID 141250031
[2,6-dimethoxy-4-[5-[2-methoxy-2-(4-morpholin-4-ylphenyl)acetyl]furan-2-yl]phenyl] benzoate;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate
CID 162071379
[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] benzoate
CID 20999926
[4-(furan-2-yl)-2,6-dimethoxyphenyl]methanamine
CID 150177853
[4-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dimethoxyphenyl] benzoate
CID 171345656
[4-[(Z)-1-ethenoxyprop-1-enyl]-2,6-dimethoxyphenyl] benzoate
CID 138636350
(3,4-dimethoxy-5-methylphenyl) benzoate
CID 71511932
(2-acetyl-3-iodo-5,6-dimethoxyphenyl) benzoate
CID 102303506
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate
CID 1409504
[2-(4-methoxybenzoyl)oxyphenyl] furan-2-carboxylate
CID 91715138

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate?
The IUPAC name of [4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate (CID 58431996) is [4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate.
What is the SMILES notation for [4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate?
The canonical SMILES for [4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate is COc1cc(-c2ccco2)cc(OC)c1OC(=O)c1ccccc1.
What is the InChIKey of [4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate?
The InChIKey is HLLJGBXQABOJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-21-16-11-14(15-9-6-10-23-15)12-17(22-2)18(16)24-19(20)13-7-4-3-5-8-13/h3-12H,1-2H3.
What are the key properties of [4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate?
[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate has a molecular weight of 324.33 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate is sourced from PubChem (CID 58431996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).