2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid

C16H16O3 — CID 66680223

IUPAC2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid
SMILESCc1cc(C)cc(-c2ccc(OCC(=O)O)cc2)c1
InChIInChI=1S/C16H16O3/c1-11-7-12(2)9-14(8-11)13-3-5-15(6-4-13)19-10-16(17)18/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyZCIWMAAGTHMUAZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.43
Rot. Bonds4

About 2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid

2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid (PubChem CID 66680223) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid
PubChem CID66680223
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid
SMILESCc1cc(C)cc(-c2ccc(OCC(=O)O)cc2)c1
InChIInChI=1S/C16H16O3/c1-11-7-12(2)9-14(8-11)13-3-5-15(6-4-13)19-10-16(17)18/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyZCIWMAAGTHMUAZ-UHFFFAOYSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(5-amino-2-methylphenyl)phenoxy]acetic acid
CID 82039012
ethane;2-(4-methylphenoxy)acetic acid;propan-1-amine
CID 170598336
lithium;methanidylbenzene;2-(4-methylphenoxy)acetic acid
CID 161400826
2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid
CID 82039313
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912
2-(3-methoxy-5-methylphenoxy)acetic acid
CID 55264388
2-[4-(N-[4-[4-(N-[4-(carboxymethoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]acetic acid
CID 102587627
ethane;2-(4-sulfanylphenoxy)acetic acid
CID 69456856
4-[4-(4-methylphenyl)phenoxy]butanoic acid
CID 22680200
2-[4-[12-[4-(carboxymethoxy)phenoxy]dodecoxy]phenoxy]acetic acid
CID 139839554
chloromethane;2-phenoxyacetic acid
CID 157255542
2-(4-phosphanylphenoxy)acetic acid
CID 143227716

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid (CID 66680223) is 2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid is Cc1cc(C)cc(-c2ccc(OCC(=O)O)cc2)c1.
What is the InChIKey of 2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid?
The InChIKey is ZCIWMAAGTHMUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-7-12(2)9-14(8-11)13-3-5-15(6-4-13)19-10-16(17)18/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid?
2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid is sourced from PubChem (CID 66680223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).