5-(1,2-dihydroacenaphthylen-5-yl)furan-2-carboxylic acid

C17H12O3 — CID 114939422

IUPAC5-(1,2-dihydroacenaphthylen-5-yl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc3c4c(cccc24)CC3)o1
InChIInChI=1S/C17H12O3/c18-17(19)15-9-8-14(20-15)12-7-6-11-5-4-10-2-1-3-13(12)16(10)11/h1-3,6-9H,4-5H2,(H,18,19)
InChIKeyQJRTWTQGRQYXEP-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.90
Rot. Bonds2

About 5-(1,2-dihydroacenaphthylen-5-yl)furan-2-carboxylic acid

5-(1,2-dihydroacenaphthylen-5-yl)furan-2-carboxylic acid (PubChem CID 114939422) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-(1,2-dihydroacenaphthylen-5-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,2-dihydroacenaphthylen-5-yl)furan-2-carboxylic acid
PubChem CID114939422
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name5-(1,2-dihydroacenaphthylen-5-yl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc3c4c(cccc24)CC3)o1
InChIInChI=1S/C17H12O3/c18-17(19)15-9-8-14(20-15)12-7-6-11-5-4-10-2-1-3-13(12)16(10)11/h1-3,6-9H,4-5H2,(H,18,19)
InChIKeyQJRTWTQGRQYXEP-UHFFFAOYSA-N
XLogP3.90
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dihydroacenaphthylen-5-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(1,2-dihydroacenaphthylen-5-yl)furan-2-carboxylic acid (CID 114939422) is 5-(1,2-dihydroacenaphthylen-5-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1,2-dihydroacenaphthylen-5-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1,2-dihydroacenaphthylen-5-yl)furan-2-carboxylic acid is O=C(O)c1ccc(-c2ccc3c4c(cccc24)CC3)o1.
What is the InChIKey of 5-(1,2-dihydroacenaphthylen-5-yl)furan-2-carboxylic acid?
The InChIKey is QJRTWTQGRQYXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c18-17(19)15-9-8-14(20-15)12-7-6-11-5-4-10-2-1-3-13(12)16(10)11/h1-3,6-9H,4-5H2,(H,18,19).
What are the key properties of 5-(1,2-dihydroacenaphthylen-5-yl)furan-2-carboxylic acid?
5-(1,2-dihydroacenaphthylen-5-yl)furan-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dihydroacenaphthylen-5-yl)furan-2-carboxylic acid is sourced from PubChem (CID 114939422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).