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

C14H10Cl2O3 — CID 2764449

IUPAC4-[(3,4-dichlorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H10Cl2O3/c15-12-6-1-9(7-13(12)16)8-19-11-4-2-10(3-5-11)14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyZCGYVYRMBOFTPZ-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.27
Rot. Bonds4

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

4-[(3,4-dichlorophenyl)methoxy]benzoic acid (PubChem CID 2764449) has the molecular formula C14H10Cl2O3 and a molecular weight of 297.14 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methoxy]benzoic acid
PubChem CID2764449
Molecular FormulaC14H10Cl2O3
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Name4-[(3,4-dichlorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H10Cl2O3/c15-12-6-1-9(7-13(12)16)8-19-11-4-2-10(3-5-11)14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyZCGYVYRMBOFTPZ-UHFFFAOYSA-N
XLogP4.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 82051730
2-(4-chlorophenoxy)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone
CID 2801382
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid
CID 45311939
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
4-phenylmethoxybenzoic acid
CID 68896574
2-chloro-5-(phenoxymethyl)benzoic acid
CID 117221772
2-chloro-5-[(4-methylphenoxy)methyl]benzoic acid
CID 117221957
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride
CID 131847801
4-[(4-bromophenyl)methoxy]benzoic acid
CID 8706939
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methoxy]benzoic acid?
The IUPAC name of 4-[(3,4-dichlorophenyl)methoxy]benzoic acid (CID 2764449) is 4-[(3,4-dichlorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methoxy]benzoic acid?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methoxy]benzoic acid is O=C(O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methoxy]benzoic acid?
The InChIKey is ZCGYVYRMBOFTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O3/c15-12-6-1-9(7-13(12)16)8-19-11-4-2-10(3-5-11)14(17)18/h1-7H,8H2,(H,17,18).
What are the key properties of 4-[(3,4-dichlorophenyl)methoxy]benzoic acid?
4-[(3,4-dichlorophenyl)methoxy]benzoic acid has a molecular weight of 297.14 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 2764449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).