4-naphthalen-1-yloxyphthalic acid

C18H12O5 — CID 174697498

IUPAC4-naphthalen-1-yloxyphthalic acid
SMILESO=C(O)c1ccc(Oc2cccc3ccccc23)cc1C(=O)O
InChIInChI=1S/C18H12O5/c19-17(20)14-9-8-12(10-15(14)18(21)22)23-16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,(H,19,20)(H,21,22)
InChIKeyOEDAAMXJECOWHI-UHFFFAOYSA-N
MW308.29 g/mol
LogP4.03
Rot. Bonds4

About 4-naphthalen-1-yloxyphthalic acid

4-naphthalen-1-yloxyphthalic acid (PubChem CID 174697498) has the molecular formula C18H12O5 and a molecular weight of 308.29 g/mol. Its IUPAC name is 4-naphthalen-1-yloxyphthalic acid.

Molecular Properties

Compound Name4-naphthalen-1-yloxyphthalic acid
PubChem CID174697498
Molecular FormulaC18H12O5
Molecular Weight308.29 g/mol
Exact Mass308.07
IUPAC Name4-naphthalen-1-yloxyphthalic acid
SMILESO=C(O)c1ccc(Oc2cccc3ccccc23)cc1C(=O)O
InChIInChI=1S/C18H12O5/c19-17(20)14-9-8-12(10-15(14)18(21)22)23-16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,(H,19,20)(H,21,22)
InChIKeyOEDAAMXJECOWHI-UHFFFAOYSA-N
XLogP4.03
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-naphthalen-1-yloxybenzoic acid
CID 107282441
2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid
CID 1216754
5-amino-2-naphthalen-1-yloxybenzoic acid
CID 60987249
4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid
CID 18506111
5-(6-carboxynaphthalen-2-yl)oxynaphthalene-1-carboxylic acid
CID 157171420
4-naphthalen-1-yloxybenzoyl fluoride
CID 54185707
1-(3-naphthalen-1-yloxyphenyl)propan-1-one
CID 22660295
4-(3,4-dicarboxyphenoxy)benzene-1,3-dicarboxylic acid
CID 122207296
4-[3-[3-[3-(3,4-dicarboxyphenoxy)phenyl]propyl]phenoxy]phthalic acid
CID 70467908
4-[3-(2-phenylethynyl)phenoxy]phthalic acid
CID 18624391
4-[[2,6-bis(3,4-dicarboxyphenoxy)-4-pyridinyl]oxy]phthalic acid
CID 67343205
4-[2-[2-[2-(3,4-dicarboxyphenoxy)phenyl]-2-adamantyl]phenoxy]phthalic acid
CID 67507107

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yloxyphthalic acid?
The IUPAC name of 4-naphthalen-1-yloxyphthalic acid (CID 174697498) is 4-naphthalen-1-yloxyphthalic acid.
What is the SMILES notation for 4-naphthalen-1-yloxyphthalic acid?
The canonical SMILES for 4-naphthalen-1-yloxyphthalic acid is O=C(O)c1ccc(Oc2cccc3ccccc23)cc1C(=O)O.
What is the InChIKey of 4-naphthalen-1-yloxyphthalic acid?
The InChIKey is OEDAAMXJECOWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O5/c19-17(20)14-9-8-12(10-15(14)18(21)22)23-16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,(H,19,20)(H,21,22).
What are the key properties of 4-naphthalen-1-yloxyphthalic acid?
4-naphthalen-1-yloxyphthalic acid has a molecular weight of 308.29 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yloxyphthalic acid is sourced from PubChem (CID 174697498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).