4-(4-oxochromen-2-yl)benzoic acid

C16H10O4 — CID 5272796

IUPAC4-(4-oxochromen-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C16H10O4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H,(H,18,19)
InChIKeyGDILHIUGUNCNDU-UHFFFAOYSA-N
MW266.25 g/mol
LogP3.16
Rot. Bonds2

About 4-(4-oxochromen-2-yl)benzoic acid

4-(4-oxochromen-2-yl)benzoic acid (PubChem CID 5272796) has the molecular formula C16H10O4 and a molecular weight of 266.25 g/mol. Its IUPAC name is 4-(4-oxochromen-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(4-oxochromen-2-yl)benzoic acid
PubChem CID5272796
Molecular FormulaC16H10O4
Molecular Weight266.25 g/mol
Exact Mass266.06
IUPAC Name4-(4-oxochromen-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C16H10O4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H,(H,18,19)
InChIKeyGDILHIUGUNCNDU-UHFFFAOYSA-N
XLogP3.16
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-oxochromen-2-yl)benzoic acid?
The IUPAC name of 4-(4-oxochromen-2-yl)benzoic acid (CID 5272796) is 4-(4-oxochromen-2-yl)benzoic acid.
What is the SMILES notation for 4-(4-oxochromen-2-yl)benzoic acid?
The canonical SMILES for 4-(4-oxochromen-2-yl)benzoic acid is O=C(O)c1ccc(-c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of 4-(4-oxochromen-2-yl)benzoic acid?
The InChIKey is GDILHIUGUNCNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H,(H,18,19).
What are the key properties of 4-(4-oxochromen-2-yl)benzoic acid?
4-(4-oxochromen-2-yl)benzoic acid has a molecular weight of 266.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxochromen-2-yl)benzoic acid is sourced from PubChem (CID 5272796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).