5-(6-carboxynaphthalen-2-yl)oxynaphthalene-1-carboxylic acid

C44H28O10 — CID 157171420

IUPAC5-(6-carboxynaphthalen-2-yl)oxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1ccc2cc(Oc3cccc4c(C(=O)O)cccc34)ccc2c1.O=C(O)c1ccc2cc(Oc3cccc4c(C(=O)O)cccc34)ccc2c1
InChIInChI=1S/2C22H14O5/c2*23-21(24)15-8-7-14-12-16(10-9-13(14)11-15)27-20-6-2-3-17-18(20)4-1-5-19(17)22(25)26/h2*1-12H,(H,23,24)(H,25,26)
InChIKeyANMXOOZMFWYSOH-UHFFFAOYSA-N
MW716.70 g/mol
LogP10.36
Rot. Bonds8

About 5-(6-carboxynaphthalen-2-yl)oxynaphthalene-1-carboxylic acid

5-(6-carboxynaphthalen-2-yl)oxynaphthalene-1-carboxylic acid (PubChem CID 157171420) has the molecular formula C44H28O10 and a molecular weight of 716.70 g/mol. Its IUPAC name is 5-(6-carboxynaphthalen-2-yl)oxynaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name5-(6-carboxynaphthalen-2-yl)oxynaphthalene-1-carboxylic acid
PubChem CID157171420
Molecular FormulaC44H28O10
Molecular Weight716.70 g/mol
Exact Mass716.17
IUPAC Name5-(6-carboxynaphthalen-2-yl)oxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1ccc2cc(Oc3cccc4c(C(=O)O)cccc34)ccc2c1.O=C(O)c1ccc2cc(Oc3cccc4c(C(=O)O)cccc34)ccc2c1
InChIInChI=1S/2C22H14O5/c2*23-21(24)15-8-7-14-12-16(10-9-13(14)11-15)27-20-6-2-3-17-18(20)4-1-5-19(17)22(25)26/h2*1-12H,(H,23,24)(H,25,26)
InChIKeyANMXOOZMFWYSOH-UHFFFAOYSA-N
XLogP10.36
TPSA167.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.70
LogP ≤ 510.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 155213927
4-naphthalen-1-yloxyphthalic acid
CID 174697498
[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-[4-[7-[4-(4-chlorobenzoyl)phenoxy]naphthalen-2-yl]oxyphenyl]methanone
CID 59755419
3-naphthalen-2-yloxybenzoic acid
CID 10587676
2-bromo-4-naphthalen-1-yloxybenzoic acid
CID 107282441
2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid
CID 141051376
6-methylnaphthalene-1-carboxylic acid;6-methylnaphthalene-2-carboxylic acid;7-methylnaphthalene-2-carboxylic acid
CID 159162077
naphthalene-2-carboxylic acid
CID 175967775
4-(3-cyanophenoxy)naphthalene-1-carboxylic acid
CID 174753689
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid
CID 59590548
4-(3,4-dicarboxyphenoxy)benzene-1,3-dicarboxylic acid
CID 122207296

Frequently Asked Questions

What is the IUPAC name of 5-(6-carboxynaphthalen-2-yl)oxynaphthalene-1-carboxylic acid?
The IUPAC name of 5-(6-carboxynaphthalen-2-yl)oxynaphthalene-1-carboxylic acid (CID 157171420) is 5-(6-carboxynaphthalen-2-yl)oxynaphthalene-1-carboxylic acid.
What is the SMILES notation for 5-(6-carboxynaphthalen-2-yl)oxynaphthalene-1-carboxylic acid?
The canonical SMILES for 5-(6-carboxynaphthalen-2-yl)oxynaphthalene-1-carboxylic acid is O=C(O)c1ccc2cc(Oc3cccc4c(C(=O)O)cccc34)ccc2c1.O=C(O)c1ccc2cc(Oc3cccc4c(C(=O)O)cccc34)ccc2c1.
What is the InChIKey of 5-(6-carboxynaphthalen-2-yl)oxynaphthalene-1-carboxylic acid?
The InChIKey is ANMXOOZMFWYSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H14O5/c2*23-21(24)15-8-7-14-12-16(10-9-13(14)11-15)27-20-6-2-3-17-18(20)4-1-5-19(17)22(25)26/h2*1-12H,(H,23,24)(H,25,26).
What are the key properties of 5-(6-carboxynaphthalen-2-yl)oxynaphthalene-1-carboxylic acid?
5-(6-carboxynaphthalen-2-yl)oxynaphthalene-1-carboxylic acid has a molecular weight of 716.70 g/mol, XLogP of 10.36, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-carboxynaphthalen-2-yl)oxynaphthalene-1-carboxylic acid is sourced from PubChem (CID 157171420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).