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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Related Compounds

4-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid
CID 10574284
2-(4-chlorophenyl)-4-oxochromene-8-carboxylic acid;hydrochloride
CID 70487550
[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 18956599
1,2-bis[4-[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]ethane-1,2-dione
CID 102382632
3,5-bis(naphthalen-2-ylmethoxy)benzoic acid
CID 170676127
4-oxo-8-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]chromene-2-carboxylic acid
CID 14842373
2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid
CID 19004454
3-(2-aminoethoxy)-4-oxo-2-[4-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid
CID 10504961
8-(hydroxymethyl)-2-phenylchromen-4-one
CID 141073629
2-chloro-5-(phenoxymethyl)benzoic acid
CID 117221772
4-oxo-2-phenyl-N-(2-piperidin-1-ylethyl)chromene-8-carboxamide
CID 13420536
7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 178187643

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).