2-[2,5-bis(phenylmethoxy)phenyl]acetic acid

C22H20O4 — CID 14802088

IUPAC2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cc(OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C22H20O4/c23-22(24)14-19-13-20(25-15-17-7-3-1-4-8-17)11-12-21(19)26-16-18-9-5-2-6-10-18/h1-13H,14-16H2,(H,23,24)
InChIKeyKWIBJZFUZRSKCA-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.47
Rot. Bonds8

About 2-[2,5-bis(phenylmethoxy)phenyl]acetic acid

2-[2,5-bis(phenylmethoxy)phenyl]acetic acid (PubChem CID 14802088) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[2,5-bis(phenylmethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
PubChem CID14802088
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cc(OCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C22H20O4/c23-22(24)14-19-13-20(25-15-17-7-3-1-4-8-17)11-12-21(19)26-16-18-9-5-2-6-10-18/h1-13H,14-16H2,(H,23,24)
InChIKeyKWIBJZFUZRSKCA-UHFFFAOYSA-N
XLogP4.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,5-bis(phenylmethoxy)phenyl]propan-1-ol
CID 86006432
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene
CID 11121904
3-[2,5-bis(phenylmethoxy)phenyl]-3-oxopropanoic acid
CID 170887038
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
CID 170864797
2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
CID 20984477
2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetic acid
CID 141320097
2-(2,5-diethoxyphenyl)acetic acid
CID 4685204
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
CID 5002950
2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(phenylmethoxy)phenyl]acetic acid?
The IUPAC name of 2-[2,5-bis(phenylmethoxy)phenyl]acetic acid (CID 14802088) is 2-[2,5-bis(phenylmethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[2,5-bis(phenylmethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[2,5-bis(phenylmethoxy)phenyl]acetic acid is O=C(O)Cc1cc(OCc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of 2-[2,5-bis(phenylmethoxy)phenyl]acetic acid?
The InChIKey is KWIBJZFUZRSKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c23-22(24)14-19-13-20(25-15-17-7-3-1-4-8-17)11-12-21(19)26-16-18-9-5-2-6-10-18/h1-13H,14-16H2,(H,23,24).
What are the key properties of 2-[2,5-bis(phenylmethoxy)phenyl]acetic acid?
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid has a molecular weight of 348.40 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(phenylmethoxy)phenyl]acetic acid is sourced from PubChem (CID 14802088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).