8-(8-formyloxynaphthalen-1-yl)naphthalene-1-carboxylic acid

C22H14O4 — CID 167424646

IUPAC8-(8-formyloxynaphthalen-1-yl)naphthalene-1-carboxylic acid
SMILESO=COc1cccc2cccc(-c3cccc4cccc(C(=O)O)c34)c12
InChIInChI=1S/C22H14O4/c23-13-26-19-12-4-8-15-7-2-10-17(21(15)19)16-9-1-5-14-6-3-11-18(20(14)16)22(24)25/h1-13H,(H,24,25)
InChIKeyQVDDROKIYFUBRC-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.89
Rot. Bonds4

About 8-(8-formyloxynaphthalen-1-yl)naphthalene-1-carboxylic acid

8-(8-formyloxynaphthalen-1-yl)naphthalene-1-carboxylic acid (PubChem CID 167424646) has the molecular formula C22H14O4 and a molecular weight of 342.35 g/mol. Its IUPAC name is 8-(8-formyloxynaphthalen-1-yl)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-(8-formyloxynaphthalen-1-yl)naphthalene-1-carboxylic acid
PubChem CID167424646
Molecular FormulaC22H14O4
Molecular Weight342.35 g/mol
Exact Mass342.09
IUPAC Name8-(8-formyloxynaphthalen-1-yl)naphthalene-1-carboxylic acid
SMILESO=COc1cccc2cccc(-c3cccc4cccc(C(=O)O)c34)c12
InChIInChI=1S/C22H14O4/c23-13-26-19-12-4-8-15-7-2-10-17(21(15)19)16-9-1-5-14-6-3-11-18(20(14)16)22(24)25/h1-13H,(H,24,25)
InChIKeyQVDDROKIYFUBRC-UHFFFAOYSA-N
XLogP4.89
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

8-formyloxy-9-oxofluorene-1-carboxylic acid
CID 121309144
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
sodium;hydride;naphthalene-1,8-dicarboxylic acid
CID 175149963
8-phosphonooxynaphthalene-1-carboxylic acid
CID 171384485
8-[1-(8-carboxynaphthalen-1-yl)naphthalen-2-yl]naphthalene-1-carboxylic acid
CID 175733393
(2-formyloxybenzoyl)azanide;tungsten
CID 155629345
2-(8-bromonaphthalen-1-yl)benzoic acid
CID 102060939
2-acetyloxynaphthalene-1,8-dicarboxylic acid
CID 67684685
8-(1,2,4-oxadiazol-5-yl)naphthalene-1-carboxylic acid
CID 114998331
perylen-1-yl formate
CID 57302051
3-methyl-2-[8-(4-methylcyclohex-2-ene-1-carbonyl)oxynaphthalen-1-yl]benzoic acid
CID 122505339

Frequently Asked Questions

What is the IUPAC name of 8-(8-formyloxynaphthalen-1-yl)naphthalene-1-carboxylic acid?
The IUPAC name of 8-(8-formyloxynaphthalen-1-yl)naphthalene-1-carboxylic acid (CID 167424646) is 8-(8-formyloxynaphthalen-1-yl)naphthalene-1-carboxylic acid.
What is the SMILES notation for 8-(8-formyloxynaphthalen-1-yl)naphthalene-1-carboxylic acid?
The canonical SMILES for 8-(8-formyloxynaphthalen-1-yl)naphthalene-1-carboxylic acid is O=COc1cccc2cccc(-c3cccc4cccc(C(=O)O)c34)c12.
What is the InChIKey of 8-(8-formyloxynaphthalen-1-yl)naphthalene-1-carboxylic acid?
The InChIKey is QVDDROKIYFUBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O4/c23-13-26-19-12-4-8-15-7-2-10-17(21(15)19)16-9-1-5-14-6-3-11-18(20(14)16)22(24)25/h1-13H,(H,24,25).
What are the key properties of 8-(8-formyloxynaphthalen-1-yl)naphthalene-1-carboxylic acid?
8-(8-formyloxynaphthalen-1-yl)naphthalene-1-carboxylic acid has a molecular weight of 342.35 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8-formyloxynaphthalen-1-yl)naphthalene-1-carboxylic acid is sourced from PubChem (CID 167424646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).