3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid

C16H14Cl2O3 — CID 63529202

IUPAC3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid
SMILESCc1ccc(COc2c(Cl)cc(Cl)cc2C(=O)O)cc1C
InChIInChI=1S/C16H14Cl2O3/c1-9-3-4-11(5-10(9)2)8-21-15-13(16(19)20)6-12(17)7-14(15)18/h3-7H,8H2,1-2H3,(H,19,20)
InChIKeySXWOFVNFSDSFOP-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.89
Rot. Bonds4

About 3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid

3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid (PubChem CID 63529202) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is 3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid
PubChem CID63529202
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Name3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid
SMILESCc1ccc(COc2c(Cl)cc(Cl)cc2C(=O)O)cc1C
InChIInChI=1S/C16H14Cl2O3/c1-9-3-4-11(5-10(9)2)8-21-15-13(16(19)20)6-12(17)7-14(15)18/h3-7H,8H2,1-2H3,(H,19,20)
InChIKeySXWOFVNFSDSFOP-UHFFFAOYSA-N
XLogP4.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid
CID 102881324
3,5-dichloro-2-(2-methoxyethoxy)benzoic acid
CID 43516035
3,5-dichloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43516111
3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid
CID 43516104
2-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid
CID 79700925
4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorobenzoic acid
CID 79880846
2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid
CID 63463861
3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid
CID 82826882
3,5-dichloro-2-(3-fluoropropoxy)benzoic acid
CID 81106842
3-chloro-2-[(4-methylphenyl)methoxy]benzoic acid
CID 112612027
2-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dichlorobenzoic acid
CID 43516140
3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336500

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid?
The IUPAC name of 3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid (CID 63529202) is 3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid?
The canonical SMILES for 3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid is Cc1ccc(COc2c(Cl)cc(Cl)cc2C(=O)O)cc1C.
What is the InChIKey of 3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid?
The InChIKey is SXWOFVNFSDSFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c1-9-3-4-11(5-10(9)2)8-21-15-13(16(19)20)6-12(17)7-14(15)18/h3-7H,8H2,1-2H3,(H,19,20).
What are the key properties of 3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid?
3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid has a molecular weight of 325.19 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 63529202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).