2-[[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methyl]benzoic acid

C21H16Cl2O3 — CID 158374464

IUPAC2-[[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methyl]benzoic acid
SMILESCOc1ccccc1-c1ccc(Cl)c(Cc2ccccc2C(=O)O)c1Cl
InChIInChI=1S/C21H16Cl2O3/c1-26-19-9-5-4-8-15(19)16-10-11-18(22)17(20(16)23)12-13-6-2-3-7-14(13)21(24)25/h2-11H,12H2,1H3,(H,24,25)
InChIKeyGGYJWIKNALZXKN-UHFFFAOYSA-N
MW387.26 g/mol
LogP5.96
Rot. Bonds5

About 2-[[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methyl]benzoic acid

2-[[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methyl]benzoic acid (PubChem CID 158374464) has the molecular formula C21H16Cl2O3 and a molecular weight of 387.26 g/mol. Its IUPAC name is 2-[[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methyl]benzoic acid
PubChem CID158374464
Molecular FormulaC21H16Cl2O3
Molecular Weight387.26 g/mol
Exact Mass386.05
IUPAC Name2-[[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methyl]benzoic acid
SMILESCOc1ccccc1-c1ccc(Cl)c(Cc2ccccc2C(=O)O)c1Cl
InChIInChI=1S/C21H16Cl2O3/c1-26-19-9-5-4-8-15(19)16-10-11-18(22)17(20(16)23)12-13-6-2-3-7-14(13)21(24)25/h2-11H,12H2,1H3,(H,24,25)
InChIKeyGGYJWIKNALZXKN-UHFFFAOYSA-N
XLogP5.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.26
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methanamine
CID 39233250
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
2-[(3-chloro-2,4-dimethoxyphenyl)methyl]benzoic acid
CID 157259421
4-chloro-2-(2-methoxyphenyl)benzoic acid
CID 53225407
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
1-(2-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077883
2-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 83743438
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 23008025
2-[(2,6-dimethylphenyl)methyl]benzoic acid
CID 158215525
3-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzoic acid
CID 136550037

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methyl]benzoic acid?
The IUPAC name of 2-[[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methyl]benzoic acid (CID 158374464) is 2-[[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methyl]benzoic acid.
What is the SMILES notation for 2-[[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methyl]benzoic acid?
The canonical SMILES for 2-[[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methyl]benzoic acid is COc1ccccc1-c1ccc(Cl)c(Cc2ccccc2C(=O)O)c1Cl.
What is the InChIKey of 2-[[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methyl]benzoic acid?
The InChIKey is GGYJWIKNALZXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2O3/c1-26-19-9-5-4-8-15(19)16-10-11-18(22)17(20(16)23)12-13-6-2-3-7-14(13)21(24)25/h2-11H,12H2,1H3,(H,24,25).
What are the key properties of 2-[[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methyl]benzoic acid?
2-[[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methyl]benzoic acid has a molecular weight of 387.26 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methyl]benzoic acid is sourced from PubChem (CID 158374464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).