3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid

C15H12Cl2O3 — CID 45311939

IUPAC3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2O3/c1-9-2-4-11(15(18)19)7-14(9)20-8-10-3-5-12(16)13(17)6-10/h2-7H,8H2,1H3,(H,18,19)
InChIKeyCZWMPDMFKNYJEN-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.58
Rot. Bonds4

About 3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid

3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid (PubChem CID 45311939) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid
PubChem CID45311939
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2O3/c1-9-2-4-11(15(18)19)7-14(9)20-8-10-3-5-12(16)13(17)6-10/h2-7H,8H2,1H3,(H,18,19)
InChIKeyCZWMPDMFKNYJEN-UHFFFAOYSA-N
XLogP4.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chlorophenyl)methoxy]-4-methylbenzoic acid
CID 45311750
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449
4-[(2,5-dimethylphenoxy)methyl]benzoic acid
CID 7015959
3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid
CID 63464346
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzamide
CID 91683401
4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 6458100
2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid
CID 63463861
3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzoic acid
CID 55040942
methyl 4-amino-3-[(3,4-dichlorophenyl)methoxy]benzoate
CID 43380152
4-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]-3-methylbenzoic acid
CID 17058449
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91683384
3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 60651653

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid?
The IUPAC name of 3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid (CID 45311939) is 3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid?
The InChIKey is CZWMPDMFKNYJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-9-2-4-11(15(18)19)7-14(9)20-8-10-3-5-12(16)13(17)6-10/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid?
3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid has a molecular weight of 311.16 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid is sourced from PubChem (CID 45311939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).