3-methoxy-5-[4-(4-methylbenzoyl)phenoxy]naphthalene-2-carboxylic acid

C26H20O5 — CID 130396444

IUPAC3-methoxy-5-[4-(4-methylbenzoyl)phenoxy]naphthalene-2-carboxylic acid
SMILESCOc1cc2c(Oc3ccc(C(=O)c4ccc(C)cc4)cc3)cccc2cc1C(=O)O
InChIInChI=1S/C26H20O5/c1-16-6-8-17(9-7-16)25(27)18-10-12-20(13-11-18)31-23-5-3-4-19-14-22(26(28)29)24(30-2)15-21(19)23/h3-15H,1-2H3,(H,28,29)
InChIKeyDZHZFJAIPJRATD-UHFFFAOYSA-N
MW412.44 g/mol
LogP5.88
Rot. Bonds6

About 3-methoxy-5-[4-(4-methylbenzoyl)phenoxy]naphthalene-2-carboxylic acid

3-methoxy-5-[4-(4-methylbenzoyl)phenoxy]naphthalene-2-carboxylic acid (PubChem CID 130396444) has the molecular formula C26H20O5 and a molecular weight of 412.44 g/mol. Its IUPAC name is 3-methoxy-5-[4-(4-methylbenzoyl)phenoxy]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-5-[4-(4-methylbenzoyl)phenoxy]naphthalene-2-carboxylic acid
PubChem CID130396444
Molecular FormulaC26H20O5
Molecular Weight412.44 g/mol
Exact Mass412.13
IUPAC Name3-methoxy-5-[4-(4-methylbenzoyl)phenoxy]naphthalene-2-carboxylic acid
SMILESCOc1cc2c(Oc3ccc(C(=O)c4ccc(C)cc4)cc3)cccc2cc1C(=O)O
InChIInChI=1S/C26H20O5/c1-16-6-8-17(9-7-16)25(27)18-10-12-20(13-11-18)31-23-5-3-4-19-14-22(26(28)29)24(30-2)15-21(19)23/h3-15H,1-2H3,(H,28,29)
InChIKeyDZHZFJAIPJRATD-UHFFFAOYSA-N
XLogP5.88
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.44
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 58399730
[4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 160674185
[4-[4-[4-(4-methylbenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone
CID 59847042
[4-[5-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-methylphenyl)methanone
CID 59755388
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid
CID 62136478
2-methoxy-5-(3-methylbenzoyl)benzoic acid
CID 22917219
3-methoxyphenanthrene-2-carboxylic acid
CID 44721157
[4-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 20682561
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[4-(4-methylbenzoyl)phenoxy]naphthalene-2-carboxylic acid?
The IUPAC name of 3-methoxy-5-[4-(4-methylbenzoyl)phenoxy]naphthalene-2-carboxylic acid (CID 130396444) is 3-methoxy-5-[4-(4-methylbenzoyl)phenoxy]naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-5-[4-(4-methylbenzoyl)phenoxy]naphthalene-2-carboxylic acid?
The canonical SMILES for 3-methoxy-5-[4-(4-methylbenzoyl)phenoxy]naphthalene-2-carboxylic acid is COc1cc2c(Oc3ccc(C(=O)c4ccc(C)cc4)cc3)cccc2cc1C(=O)O.
What is the InChIKey of 3-methoxy-5-[4-(4-methylbenzoyl)phenoxy]naphthalene-2-carboxylic acid?
The InChIKey is DZHZFJAIPJRATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O5/c1-16-6-8-17(9-7-16)25(27)18-10-12-20(13-11-18)31-23-5-3-4-19-14-22(26(28)29)24(30-2)15-21(19)23/h3-15H,1-2H3,(H,28,29).
What are the key properties of 3-methoxy-5-[4-(4-methylbenzoyl)phenoxy]naphthalene-2-carboxylic acid?
3-methoxy-5-[4-(4-methylbenzoyl)phenoxy]naphthalene-2-carboxylic acid has a molecular weight of 412.44 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[4-(4-methylbenzoyl)phenoxy]naphthalene-2-carboxylic acid is sourced from PubChem (CID 130396444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).