4-(3,4-dichlorophenyl)-2-(naphthalen-1-ylmethoxy)benzoic acid

C24H16Cl2O3 — CID 58521508

IUPAC4-(3,4-dichlorophenyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1OCc1cccc2ccccc12
InChIInChI=1S/C24H16Cl2O3/c25-21-11-9-16(12-22(21)26)17-8-10-20(24(27)28)23(13-17)29-14-18-6-3-5-15-4-1-2-7-19(15)18/h1-13H,14H2,(H,27,28)
InChIKeyRKZUJMYOGRKOBA-UHFFFAOYSA-N
MW423.30 g/mol
LogP7.09
Rot. Bonds5

About 4-(3,4-dichlorophenyl)-2-(naphthalen-1-ylmethoxy)benzoic acid

4-(3,4-dichlorophenyl)-2-(naphthalen-1-ylmethoxy)benzoic acid (PubChem CID 58521508) has the molecular formula C24H16Cl2O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-2-(naphthalen-1-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
PubChem CID58521508
Molecular FormulaC24H16Cl2O3
Molecular Weight423.30 g/mol
Exact Mass422.05
IUPAC Name4-(3,4-dichlorophenyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1OCc1cccc2ccccc12
InChIInChI=1S/C24H16Cl2O3/c25-21-11-9-16(12-22(21)26)17-8-10-20(24(27)28)23(13-17)29-14-18-6-3-5-15-4-1-2-7-19(15)18/h1-13H,14H2,(H,27,28)
InChIKeyRKZUJMYOGRKOBA-UHFFFAOYSA-N
XLogP7.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.30
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(naphthalen-1-ylmethoxy)-2-phenylmethoxybenzoic acid
CID 10596178
2-(naphthalen-1-ylmethoxy)-4-(trifluoromethoxy)benzoic acid
CID 46202947
4-(cyclobutylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521525
4-(cycloheptylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521526
4-(3-methoxypropyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521492
4-[(2-methylpyrazol-3-yl)methyl]-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521501
4-[(4-methylcyclohexyl)methyl]-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521522
2-(naphthalen-1-yloxymethyl)benzoic acid
CID 43473128
3-chloro-4-(naphthalen-1-ylmethoxy)benzoyl chloride
CID 91683497
3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid
CID 61380024
3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzoic acid
CID 8707119
2-[(7-chloronaphthalen-1-yl)methoxy]-4-(diethylamino)benzoic acid
CID 46202294

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-2-(naphthalen-1-ylmethoxy)benzoic acid?
The IUPAC name of 4-(3,4-dichlorophenyl)-2-(naphthalen-1-ylmethoxy)benzoic acid (CID 58521508) is 4-(3,4-dichlorophenyl)-2-(naphthalen-1-ylmethoxy)benzoic acid.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-2-(naphthalen-1-ylmethoxy)benzoic acid?
The canonical SMILES for 4-(3,4-dichlorophenyl)-2-(naphthalen-1-ylmethoxy)benzoic acid is O=C(O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1OCc1cccc2ccccc12.
What is the InChIKey of 4-(3,4-dichlorophenyl)-2-(naphthalen-1-ylmethoxy)benzoic acid?
The InChIKey is RKZUJMYOGRKOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2O3/c25-21-11-9-16(12-22(21)26)17-8-10-20(24(27)28)23(13-17)29-14-18-6-3-5-15-4-1-2-7-19(15)18/h1-13H,14H2,(H,27,28).
What are the key properties of 4-(3,4-dichlorophenyl)-2-(naphthalen-1-ylmethoxy)benzoic acid?
4-(3,4-dichlorophenyl)-2-(naphthalen-1-ylmethoxy)benzoic acid has a molecular weight of 423.30 g/mol, XLogP of 7.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-2-(naphthalen-1-ylmethoxy)benzoic acid is sourced from PubChem (CID 58521508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).