2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid

C24H24O4 — CID 22241581

IUPAC2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid
SMILESCCc1ccc(COc2cccc(OCc3cccc(C)c3C(=O)O)c2)cc1
InChIInChI=1S/C24H24O4/c1-3-18-10-12-19(13-11-18)15-27-21-8-5-9-22(14-21)28-16-20-7-4-6-17(2)23(20)24(25)26/h4-14H,3,15-16H2,1-2H3,(H,25,26)
InChIKeyDOENYFLVGSGWAK-UHFFFAOYSA-N
MW376.45 g/mol
LogP5.41
Rot. Bonds8

About 2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid

2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid (PubChem CID 22241581) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid.

Molecular Properties

Compound Name2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid
PubChem CID22241581
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid
SMILESCCc1ccc(COc2cccc(OCc3cccc(C)c3C(=O)O)c2)cc1
InChIInChI=1S/C24H24O4/c1-3-18-10-12-19(13-11-18)15-27-21-8-5-9-22(14-21)28-16-20-7-4-6-17(2)23(20)24(25)26/h4-14H,3,15-16H2,1-2H3,(H,25,26)
InChIKeyDOENYFLVGSGWAK-UHFFFAOYSA-N
XLogP5.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 22241425
ethane;2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 142024512
2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid
CID 22241403
methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate
CID 22241445
2-methyl-6-[[3-[(3-methylnaphthalen-2-yl)methoxy]phenoxy]methyl]benzoic acid
CID 22241388
methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241525
2-methyl-6-[[3-(pyridin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22241542
2-[[3-[(2,4-dichlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;ethane
CID 142024078
methyl 2-[[3-[(3-bromophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241464
2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid
CID 105344950
2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid
CID 22241519
ethane;1-methyl-3-[[3-[(4-propan-2-ylphenyl)methoxy]phenoxy]methyl]-2-prop-1-en-2-ylbenzene
CID 142024340

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid?
The IUPAC name of 2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid (CID 22241581) is 2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid.
What is the SMILES notation for 2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid?
The canonical SMILES for 2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid is CCc1ccc(COc2cccc(OCc3cccc(C)c3C(=O)O)c2)cc1.
What is the InChIKey of 2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid?
The InChIKey is DOENYFLVGSGWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-3-18-10-12-19(13-11-18)15-27-21-8-5-9-22(14-21)28-16-20-7-4-6-17(2)23(20)24(25)26/h4-14H,3,15-16H2,1-2H3,(H,25,26).
What are the key properties of 2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid?
2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid has a molecular weight of 376.45 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid is sourced from PubChem (CID 22241581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).