4-(2,6-dichlorophenoxy)-3-phenylbenzoic acid

C19H12Cl2O3 — CID 57232035

IUPAC4-(2,6-dichlorophenoxy)-3-phenylbenzoic acid
SMILESO=C(O)c1ccc(Oc2c(Cl)cccc2Cl)c(-c2ccccc2)c1
InChIInChI=1S/C19H12Cl2O3/c20-15-7-4-8-16(21)18(15)24-17-10-9-13(19(22)23)11-14(17)12-5-2-1-3-6-12/h1-11H,(H,22,23)
InChIKeyBCAQQVAIDZJKEI-UHFFFAOYSA-N
MW359.21 g/mol
LogP6.15
Rot. Bonds4

About 4-(2,6-dichlorophenoxy)-3-phenylbenzoic acid

4-(2,6-dichlorophenoxy)-3-phenylbenzoic acid (PubChem CID 57232035) has the molecular formula C19H12Cl2O3 and a molecular weight of 359.21 g/mol. Its IUPAC name is 4-(2,6-dichlorophenoxy)-3-phenylbenzoic acid.

Molecular Properties

Compound Name4-(2,6-dichlorophenoxy)-3-phenylbenzoic acid
PubChem CID57232035
Molecular FormulaC19H12Cl2O3
Molecular Weight359.21 g/mol
Exact Mass358.02
IUPAC Name4-(2,6-dichlorophenoxy)-3-phenylbenzoic acid
SMILESO=C(O)c1ccc(Oc2c(Cl)cccc2Cl)c(-c2ccccc2)c1
InChIInChI=1S/C19H12Cl2O3/c20-15-7-4-8-16(21)18(15)24-17-10-9-13(19(22)23)11-14(17)12-5-2-1-3-6-12/h1-11H,(H,22,23)
InChIKeyBCAQQVAIDZJKEI-UHFFFAOYSA-N
XLogP6.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.21
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2,6-dichloro-4-[(2,6-dichlorobenzoyl)carbamoylamino]phenoxy]-3-phenylbenzoic acid
CID 19072682
4-(2,6-diphenylphenoxy)benzoic acid
CID 139330345
3-(3-chloro-4-phenylphenyl)benzoic acid
CID 68550089
2-(2-phenylphenyl)terephthalic acid
CID 67851740
4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride
CID 101011694
3-(3-hydroxyphenyl)-4-methoxybenzoic acid
CID 115045204
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091
3-(3-bromophenyl)-4-methoxybenzoic acid
CID 115503797
zinc bis(4-carboxy-2-phenylbenzenethiolate)
CID 158764279
bis(2-chlorophenyl) 2-phenylbenzene-1,4-dicarboxylate
CID 70542824
8-(2,3-dichlorophenyl)naphthalene-2-carboxylic acid
CID 58553759
4-acetyl-3-phenylbenzoic acid
CID 139966982

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenoxy)-3-phenylbenzoic acid?
The IUPAC name of 4-(2,6-dichlorophenoxy)-3-phenylbenzoic acid (CID 57232035) is 4-(2,6-dichlorophenoxy)-3-phenylbenzoic acid.
What is the SMILES notation for 4-(2,6-dichlorophenoxy)-3-phenylbenzoic acid?
The canonical SMILES for 4-(2,6-dichlorophenoxy)-3-phenylbenzoic acid is O=C(O)c1ccc(Oc2c(Cl)cccc2Cl)c(-c2ccccc2)c1.
What is the InChIKey of 4-(2,6-dichlorophenoxy)-3-phenylbenzoic acid?
The InChIKey is BCAQQVAIDZJKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2O3/c20-15-7-4-8-16(21)18(15)24-17-10-9-13(19(22)23)11-14(17)12-5-2-1-3-6-12/h1-11H,(H,22,23).
What are the key properties of 4-(2,6-dichlorophenoxy)-3-phenylbenzoic acid?
4-(2,6-dichlorophenoxy)-3-phenylbenzoic acid has a molecular weight of 359.21 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenoxy)-3-phenylbenzoic acid is sourced from PubChem (CID 57232035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).