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

C26H22O3 — CID 54584878

IUPAC7-[(2,6-dimethylphenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid
SMILESCc1cccc(C)c1COc1ccc2c(-c3ccccc3)cc(C(=O)O)cc2c1
InChIInChI=1S/C26H22O3/c1-17-7-6-8-18(2)25(17)16-29-22-11-12-23-20(14-22)13-21(26(27)28)15-24(23)19-9-4-3-5-10-19/h3-15H,16H2,1-2H3,(H,27,28)
InChIKeyHIVWZRSQGPEXRC-UHFFFAOYSA-N
MW382.46 g/mol
LogP6.40
Rot. Bonds5

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

7-[(2,6-dimethylphenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid (PubChem CID 54584878) has the molecular formula C26H22O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 7-[(2,6-dimethylphenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-[(2,6-dimethylphenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid
PubChem CID54584878
Molecular FormulaC26H22O3
Molecular Weight382.46 g/mol
Exact Mass382.16
IUPAC Name7-[(2,6-dimethylphenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid
SMILESCc1cccc(C)c1COc1ccc2c(-c3ccccc3)cc(C(=O)O)cc2c1
InChIInChI=1S/C26H22O3/c1-17-7-6-8-18(2)25(17)16-29-22-11-12-23-20(14-22)13-21(26(27)28)15-24(23)19-9-4-3-5-10-19/h3-15H,16H2,1-2H3,(H,27,28)
InChIKeyHIVWZRSQGPEXRC-UHFFFAOYSA-N
XLogP6.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,6-dimethylphenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid?
The IUPAC name of 7-[(2,6-dimethylphenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid (CID 54584878) is 7-[(2,6-dimethylphenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 7-[(2,6-dimethylphenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid?
The canonical SMILES for 7-[(2,6-dimethylphenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid is Cc1cccc(C)c1COc1ccc2c(-c3ccccc3)cc(C(=O)O)cc2c1.
What is the InChIKey of 7-[(2,6-dimethylphenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid?
The InChIKey is HIVWZRSQGPEXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O3/c1-17-7-6-8-18(2)25(17)16-29-22-11-12-23-20(14-22)13-21(26(27)28)15-24(23)19-9-4-3-5-10-19/h3-15H,16H2,1-2H3,(H,27,28).
What are the key properties of 7-[(2,6-dimethylphenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid?
7-[(2,6-dimethylphenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid has a molecular weight of 382.46 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,6-dimethylphenyl)methoxy]-4-phenylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 54584878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).