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

C27H22O5 — CID 42630690

IUPAC4-(4-carboxyphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid
SMILESCc1cccc(C)c1COc1ccc2c(-c3ccc(C(=O)O)cc3)cc(C(=O)O)cc2c1
InChIInChI=1S/C27H22O5/c1-16-4-3-5-17(2)25(16)15-32-22-10-11-23-20(13-22)12-21(27(30)31)14-24(23)18-6-8-19(9-7-18)26(28)29/h3-14H,15H2,1-2H3,(H,28,29)(H,30,31)
InChIKeyHTNBWCLUEGGNQA-UHFFFAOYSA-N
MW426.47 g/mol
LogP6.10
Rot. Bonds6

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

4-(4-carboxyphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid (PubChem CID 42630690) has the molecular formula C27H22O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-(4-carboxyphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-carboxyphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid
PubChem CID42630690
Molecular FormulaC27H22O5
Molecular Weight426.47 g/mol
Exact Mass426.15
IUPAC Name4-(4-carboxyphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid
SMILESCc1cccc(C)c1COc1ccc2c(-c3ccc(C(=O)O)cc3)cc(C(=O)O)cc2c1
InChIInChI=1S/C27H22O5/c1-16-4-3-5-17(2)25(16)15-32-22-10-11-23-20(13-22)12-21(27(30)31)14-24(23)18-6-8-19(9-7-18)26(28)29/h3-14H,15H2,1-2H3,(H,28,29)(H,30,31)
InChIKeyHTNBWCLUEGGNQA-UHFFFAOYSA-N
XLogP6.10
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-carboxyphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Naproxen
CID 156391
Estradiol Benzoate
CID 222757
Adapalene
CID 60164
Methallenestril
CID 10599
Cra 13
CID 9799417
6-Methoxy-2-naphthylacetic acid
CID 32176
Flocoumafen
CID 54698175
Mollugin
CID 124219
Cp-195543
CID 9823886
Menbutone
CID 71818
Phenyl 1-hydroxy-2-naphthoate
CID 67236
C.I. Vat Green 1
CID 31410

Frequently Asked Questions

What is the IUPAC name of 4-(4-carboxyphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid?
The IUPAC name of 4-(4-carboxyphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid (CID 42630690) is 4-(4-carboxyphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid.
What is the SMILES notation for 4-(4-carboxyphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid?
The canonical SMILES for 4-(4-carboxyphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid is Cc1cccc(C)c1COc1ccc2c(-c3ccc(C(=O)O)cc3)cc(C(=O)O)cc2c1.
What is the InChIKey of 4-(4-carboxyphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid?
The InChIKey is HTNBWCLUEGGNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O5/c1-16-4-3-5-17(2)25(16)15-32-22-10-11-23-20(13-22)12-21(27(30)31)14-24(23)18-6-8-19(9-7-18)26(28)29/h3-14H,15H2,1-2H3,(H,28,29)(H,30,31).
What are the key properties of 4-(4-carboxyphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid?
4-(4-carboxyphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid has a molecular weight of 426.47 g/mol, XLogP of 6.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carboxyphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid is sourced from PubChem (CID 42630690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).