2-(1-ethoxy-5-ethylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid

C20H20O4 — CID 53319258

IUPAC2-(1-ethoxy-5-ethylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid
SMILESCCOc1c(-c2occ(C)c2C(=O)O)ccc2c(CC)cccc12
InChIInChI=1S/C20H20O4/c1-4-13-7-6-8-15-14(13)9-10-16(18(15)23-5-2)19-17(20(21)22)12(3)11-24-19/h6-11H,4-5H2,1-3H3,(H,21,22)
InChIKeyOBSKWPZSNWHCQC-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.07
Rot. Bonds5

About 2-(1-ethoxy-5-ethylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid

2-(1-ethoxy-5-ethylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid (PubChem CID 53319258) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(1-ethoxy-5-ethylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethoxy-5-ethylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid
PubChem CID53319258
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name2-(1-ethoxy-5-ethylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid
SMILESCCOc1c(-c2occ(C)c2C(=O)O)ccc2c(CC)cccc12
InChIInChI=1S/C20H20O4/c1-4-13-7-6-8-15-14(13)9-10-16(18(15)23-5-2)19-17(20(21)22)12(3)11-24-19/h6-11H,4-5H2,1-3H3,(H,21,22)
InChIKeyOBSKWPZSNWHCQC-UHFFFAOYSA-N
XLogP5.07
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-5-ethylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid?
The IUPAC name of 2-(1-ethoxy-5-ethylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid (CID 53319258) is 2-(1-ethoxy-5-ethylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid.
What is the SMILES notation for 2-(1-ethoxy-5-ethylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid?
The canonical SMILES for 2-(1-ethoxy-5-ethylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid is CCOc1c(-c2occ(C)c2C(=O)O)ccc2c(CC)cccc12.
What is the InChIKey of 2-(1-ethoxy-5-ethylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid?
The InChIKey is OBSKWPZSNWHCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-4-13-7-6-8-15-14(13)9-10-16(18(15)23-5-2)19-17(20(21)22)12(3)11-24-19/h6-11H,4-5H2,1-3H3,(H,21,22).
What are the key properties of 2-(1-ethoxy-5-ethylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid?
2-(1-ethoxy-5-ethylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-5-ethylnaphthalen-2-yl)-4-methylfuran-3-carboxylic acid is sourced from PubChem (CID 53319258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).