4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid

C17H18O4 — CID 104637822

IUPAC4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid
SMILESCCc1ccc(OCc2ccc(C(=O)O)cc2)c(OC)c1
InChIInChI=1S/C17H18O4/c1-3-12-6-9-15(16(10-12)20-2)21-11-13-4-7-14(8-5-13)17(18)19/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeyVMCVEXHGKNIXID-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.53
Rot. Bonds6

About 4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid

4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid (PubChem CID 104637822) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid
PubChem CID104637822
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid
SMILESCCc1ccc(OCc2ccc(C(=O)O)cc2)c(OC)c1
InChIInChI=1S/C17H18O4/c1-3-12-6-9-15(16(10-12)20-2)21-11-13-4-7-14(8-5-13)17(18)19/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeyVMCVEXHGKNIXID-UHFFFAOYSA-N
XLogP3.53
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid
CID 45397817
4-[[4-[(4-chloroanilino)methyl]-2-methoxyphenoxy]methyl]benzoic acid
CID 3588361
4-[(4-bromo-2-ethylphenoxy)methyl]benzoic acid
CID 20984290
1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one
CID 83950881
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 7196715
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide
CID 82186131
4-[[4-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid
CID 6068565
5-chloro-6-(4-ethyl-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 107664153
4-[(4-bromophenyl)methoxy]-3-methoxybenzoate
CID 8706948
4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid
CID 43238029

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid?
The IUPAC name of 4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid (CID 104637822) is 4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid.
What is the SMILES notation for 4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid?
The canonical SMILES for 4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid is CCc1ccc(OCc2ccc(C(=O)O)cc2)c(OC)c1.
What is the InChIKey of 4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid?
The InChIKey is VMCVEXHGKNIXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-3-12-6-9-15(16(10-12)20-2)21-11-13-4-7-14(8-5-13)17(18)19/h4-10H,3,11H2,1-2H3,(H,18,19).
What are the key properties of 4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid?
4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid is sourced from PubChem (CID 104637822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).