4-(3-cyanophenoxy)naphthalene-1-carboxylic acid

C18H11NO3 — CID 174753689

IUPAC4-(3-cyanophenoxy)naphthalene-1-carboxylic acid
SMILESN#Cc1cccc(Oc2ccc(C(=O)O)c3ccccc23)c1
InChIInChI=1S/C18H11NO3/c19-11-12-4-3-5-13(10-12)22-17-9-8-16(18(20)21)14-6-1-2-7-15(14)17/h1-10H,(H,20,21)
InChIKeyFTYKGCQNZTUULG-UHFFFAOYSA-N
MW289.29 g/mol
LogP4.20
Rot. Bonds3

About 4-(3-cyanophenoxy)naphthalene-1-carboxylic acid

4-(3-cyanophenoxy)naphthalene-1-carboxylic acid (PubChem CID 174753689) has the molecular formula C18H11NO3 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-(3-cyanophenoxy)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-cyanophenoxy)naphthalene-1-carboxylic acid
PubChem CID174753689
Molecular FormulaC18H11NO3
Molecular Weight289.29 g/mol
Exact Mass289.07
IUPAC Name4-(3-cyanophenoxy)naphthalene-1-carboxylic acid
SMILESN#Cc1cccc(Oc2ccc(C(=O)O)c3ccccc23)c1
InChIInChI=1S/C18H11NO3/c19-11-12-4-3-5-13(10-12)22-17-9-8-16(18(20)21)14-6-1-2-7-15(14)17/h1-10H,(H,20,21)
InChIKeyFTYKGCQNZTUULG-UHFFFAOYSA-N
XLogP4.20
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(3-cyanophenoxy)benzoic acid
CID 114061355
2-(3-cyanophenoxy)benzenecarbothioic S-acid
CID 175378673
3-chloro-4-(3-cyanophenoxy)benzoic acid
CID 81151688
2-amino-3-(3-cyanophenoxy)benzamide
CID 113333275
2-[2-(3-cyanophenoxy)ethoxy]benzoic acid
CID 43532247
5-cyanatonaphthalene-1-carboxylic acid
CID 139949413
6-(3-cyanophenoxy)-2-ethylpyridine-3-carboxylic acid
CID 134204717
3-chloro-4-(3-cyanophenoxy)benzonitrile
CID 55179484
3-(2-chlorophenoxy)benzonitrile
CID 22148146
4-[3-(2-phenylethynyl)phenoxy]phthalic acid
CID 18624391
4-naphthalen-1-yloxyphthalic acid
CID 174697498
3-(2-formylphenoxy)benzonitrile
CID 28603906

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenoxy)naphthalene-1-carboxylic acid?
The IUPAC name of 4-(3-cyanophenoxy)naphthalene-1-carboxylic acid (CID 174753689) is 4-(3-cyanophenoxy)naphthalene-1-carboxylic acid.
What is the SMILES notation for 4-(3-cyanophenoxy)naphthalene-1-carboxylic acid?
The canonical SMILES for 4-(3-cyanophenoxy)naphthalene-1-carboxylic acid is N#Cc1cccc(Oc2ccc(C(=O)O)c3ccccc23)c1.
What is the InChIKey of 4-(3-cyanophenoxy)naphthalene-1-carboxylic acid?
The InChIKey is FTYKGCQNZTUULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO3/c19-11-12-4-3-5-13(10-12)22-17-9-8-16(18(20)21)14-6-1-2-7-15(14)17/h1-10H,(H,20,21).
What are the key properties of 4-(3-cyanophenoxy)naphthalene-1-carboxylic acid?
4-(3-cyanophenoxy)naphthalene-1-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenoxy)naphthalene-1-carboxylic acid is sourced from PubChem (CID 174753689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).