7-[(2,6-dimethylphenyl)methoxy]-4-[(2-methoxyphenyl)methoxy]naphthalene-2-carboxylic acid

C28H26O5 — CID 59590506

IUPAC7-[(2,6-dimethylphenyl)methoxy]-4-[(2-methoxyphenyl)methoxy]naphthalene-2-carboxylic acid
SMILESCOc1ccccc1COc1cc(C(=O)O)cc2cc(OCc3c(C)cccc3C)ccc12
InChIInChI=1S/C28H26O5/c1-18-7-6-8-19(2)25(18)17-32-23-11-12-24-21(14-23)13-22(28(29)30)15-27(24)33-16-20-9-4-5-10-26(20)31-3/h4-15H,16-17H2,1-3H3,(H,29,30)
InChIKeyYDYMNDOJUNZRMX-UHFFFAOYSA-N
MW442.51 g/mol
LogP6.32
Rot. Bonds8

About 7-[(2,6-dimethylphenyl)methoxy]-4-[(2-methoxyphenyl)methoxy]naphthalene-2-carboxylic acid

7-[(2,6-dimethylphenyl)methoxy]-4-[(2-methoxyphenyl)methoxy]naphthalene-2-carboxylic acid (PubChem CID 59590506) has the molecular formula C28H26O5 and a molecular weight of 442.51 g/mol. Its IUPAC name is 7-[(2,6-dimethylphenyl)methoxy]-4-[(2-methoxyphenyl)methoxy]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-[(2,6-dimethylphenyl)methoxy]-4-[(2-methoxyphenyl)methoxy]naphthalene-2-carboxylic acid
PubChem CID59590506
Molecular FormulaC28H26O5
Molecular Weight442.51 g/mol
Exact Mass442.18
IUPAC Name7-[(2,6-dimethylphenyl)methoxy]-4-[(2-methoxyphenyl)methoxy]naphthalene-2-carboxylic acid
SMILESCOc1ccccc1COc1cc(C(=O)O)cc2cc(OCc3c(C)cccc3C)ccc12
InChIInChI=1S/C28H26O5/c1-18-7-6-8-19(2)25(18)17-32-23-11-12-24-21(14-23)13-22(28(29)30)15-27(24)33-16-20-9-4-5-10-26(20)31-3/h4-15H,16-17H2,1-3H3,(H,29,30)
InChIKeyYDYMNDOJUNZRMX-UHFFFAOYSA-N
XLogP6.32
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.51
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxyphenyl)methoxy]-7-phenylmethoxynaphthalene-2-carboxylic acid
CID 127024734
7-methoxy-4-(phosphanylmethoxy)naphthalene-2-carboxylic acid
CID 143812778
2-[(2-methoxyphenyl)methoxy]-1,3-dimethylbenzene
CID 70895147
4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
CID 20986648
(E)-3-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]-1-naphthalen-2-ylprop-2-en-1-one
CID 19561150
4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid
CID 73013799
4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid
CID 106954690
methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate
CID 53113065
8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid
CID 118562139
1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone
CID 7919546
4-[3-[(2-methoxyphenyl)methoxy]propoxy]benzoic acid
CID 66770573
(E)-1-(2,5-dimethoxyphenyl)-3-[3-[(2,3-dimethylphenoxy)methyl]-4-methoxyphenyl]prop-2-en-1-one
CID 19567123

Frequently Asked Questions

What is the IUPAC name of 7-[(2,6-dimethylphenyl)methoxy]-4-[(2-methoxyphenyl)methoxy]naphthalene-2-carboxylic acid?
The IUPAC name of 7-[(2,6-dimethylphenyl)methoxy]-4-[(2-methoxyphenyl)methoxy]naphthalene-2-carboxylic acid (CID 59590506) is 7-[(2,6-dimethylphenyl)methoxy]-4-[(2-methoxyphenyl)methoxy]naphthalene-2-carboxylic acid.
What is the SMILES notation for 7-[(2,6-dimethylphenyl)methoxy]-4-[(2-methoxyphenyl)methoxy]naphthalene-2-carboxylic acid?
The canonical SMILES for 7-[(2,6-dimethylphenyl)methoxy]-4-[(2-methoxyphenyl)methoxy]naphthalene-2-carboxylic acid is COc1ccccc1COc1cc(C(=O)O)cc2cc(OCc3c(C)cccc3C)ccc12.
What is the InChIKey of 7-[(2,6-dimethylphenyl)methoxy]-4-[(2-methoxyphenyl)methoxy]naphthalene-2-carboxylic acid?
The InChIKey is YDYMNDOJUNZRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O5/c1-18-7-6-8-19(2)25(18)17-32-23-11-12-24-21(14-23)13-22(28(29)30)15-27(24)33-16-20-9-4-5-10-26(20)31-3/h4-15H,16-17H2,1-3H3,(H,29,30).
What are the key properties of 7-[(2,6-dimethylphenyl)methoxy]-4-[(2-methoxyphenyl)methoxy]naphthalene-2-carboxylic acid?
7-[(2,6-dimethylphenyl)methoxy]-4-[(2-methoxyphenyl)methoxy]naphthalene-2-carboxylic acid has a molecular weight of 442.51 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,6-dimethylphenyl)methoxy]-4-[(2-methoxyphenyl)methoxy]naphthalene-2-carboxylic acid is sourced from PubChem (CID 59590506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).