2-[4-(naphthalen-2-ylmethoxy)phenyl]-4-oxochromene-8-carboxylic acid

C27H18O5 — CID 10526236

IUPAC2-[4-(naphthalen-2-ylmethoxy)phenyl]-4-oxochromene-8-carboxylic acid
SMILESO=C(O)c1cccc2c(=O)cc(-c3ccc(OCc4ccc5ccccc5c4)cc3)oc12
InChIInChI=1S/C27H18O5/c28-24-15-25(32-26-22(24)6-3-7-23(26)27(29)30)19-10-12-21(13-11-19)31-16-17-8-9-18-4-1-2-5-20(18)14-17/h1-15H,16H2,(H,29,30)
InChIKeyPYEUSJHUEUTWGV-UHFFFAOYSA-N
MW422.44 g/mol
LogP5.89
Rot. Bonds5

About 2-[4-(naphthalen-2-ylmethoxy)phenyl]-4-oxochromene-8-carboxylic acid

2-[4-(naphthalen-2-ylmethoxy)phenyl]-4-oxochromene-8-carboxylic acid (PubChem CID 10526236) has the molecular formula C27H18O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-[4-(naphthalen-2-ylmethoxy)phenyl]-4-oxochromene-8-carboxylic acid.

Molecular Properties

Compound Name2-[4-(naphthalen-2-ylmethoxy)phenyl]-4-oxochromene-8-carboxylic acid
PubChem CID10526236
Molecular FormulaC27H18O5
Molecular Weight422.44 g/mol
Exact Mass422.12
IUPAC Name2-[4-(naphthalen-2-ylmethoxy)phenyl]-4-oxochromene-8-carboxylic acid
SMILESO=C(O)c1cccc2c(=O)cc(-c3ccc(OCc4ccc5ccccc5c4)cc3)oc12
InChIInChI=1S/C27H18O5/c28-24-15-25(32-26-22(24)6-3-7-23(26)27(29)30)19-10-12-21(13-11-19)31-16-17-8-9-18-4-1-2-5-20(18)14-17/h1-15H,16H2,(H,29,30)
InChIKeyPYEUSJHUEUTWGV-UHFFFAOYSA-N
XLogP5.89
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(naphthalen-2-ylmethoxy)phenyl]-4-oxochromene-8-carboxylic acid?
The IUPAC name of 2-[4-(naphthalen-2-ylmethoxy)phenyl]-4-oxochromene-8-carboxylic acid (CID 10526236) is 2-[4-(naphthalen-2-ylmethoxy)phenyl]-4-oxochromene-8-carboxylic acid.
What is the SMILES notation for 2-[4-(naphthalen-2-ylmethoxy)phenyl]-4-oxochromene-8-carboxylic acid?
The canonical SMILES for 2-[4-(naphthalen-2-ylmethoxy)phenyl]-4-oxochromene-8-carboxylic acid is O=C(O)c1cccc2c(=O)cc(-c3ccc(OCc4ccc5ccccc5c4)cc3)oc12.
What is the InChIKey of 2-[4-(naphthalen-2-ylmethoxy)phenyl]-4-oxochromene-8-carboxylic acid?
The InChIKey is PYEUSJHUEUTWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18O5/c28-24-15-25(32-26-22(24)6-3-7-23(26)27(29)30)19-10-12-21(13-11-19)31-16-17-8-9-18-4-1-2-5-20(18)14-17/h1-15H,16H2,(H,29,30).
What are the key properties of 2-[4-(naphthalen-2-ylmethoxy)phenyl]-4-oxochromene-8-carboxylic acid?
2-[4-(naphthalen-2-ylmethoxy)phenyl]-4-oxochromene-8-carboxylic acid has a molecular weight of 422.44 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(naphthalen-2-ylmethoxy)phenyl]-4-oxochromene-8-carboxylic acid is sourced from PubChem (CID 10526236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).