2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid

C17H16O4 — CID 22261154

IUPAC2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid
SMILESC=Cc1cc(OCc2ccccc2)ccc1OCC(=O)O
InChIInChI=1S/C17H16O4/c1-2-14-10-15(8-9-16(14)21-12-17(18)19)20-11-13-6-4-3-5-7-13/h2-10H,1,11-12H2,(H,18,19)
InChIKeyIDHWQSDTXWXCJJ-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.37
Rot. Bonds7

About 2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid

2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid (PubChem CID 22261154) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid
PubChem CID22261154
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid
SMILESC=Cc1cc(OCc2ccccc2)ccc1OCC(=O)O
InChIInChI=1S/C17H16O4/c1-2-14-10-15(8-9-16(14)21-12-17(18)19)20-11-13-6-4-3-5-7-13/h2-10H,1,11-12H2,(H,18,19)
InChIKeyIDHWQSDTXWXCJJ-UHFFFAOYSA-N
XLogP3.37
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid
CID 70080910
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
2-ethenyl-3-phenylmethoxynaphthalene
CID 102243769
2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate
CID 150506758
(E)-3-(2-methoxy-5-phenylmethoxyphenyl)prop-2-enoic acid
CID 11414899
1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene
CID 123206589
3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid
CID 68884286
1-(2-methylprop-2-enoxy)-4-phenylmethoxy-2-prop-2-enylbenzene
CID 175152033
3-[2,5-bis(phenylmethoxy)phenyl]-3-oxopropanoic acid
CID 170887038
2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 8633989
2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid
CID 67146724
1-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 51050714

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid?
The IUPAC name of 2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid (CID 22261154) is 2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid.
What is the SMILES notation for 2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid?
The canonical SMILES for 2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid is C=Cc1cc(OCc2ccccc2)ccc1OCC(=O)O.
What is the InChIKey of 2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid?
The InChIKey is IDHWQSDTXWXCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-2-14-10-15(8-9-16(14)21-12-17(18)19)20-11-13-6-4-3-5-7-13/h2-10H,1,11-12H2,(H,18,19).
What are the key properties of 2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid?
2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid has a molecular weight of 284.31 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid is sourced from PubChem (CID 22261154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).