2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid

C21H17ClO3 — CID 176516199

IUPAC2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cccc(OCc3ccccc3)c2)cc1Cl
InChIInChI=1S/C21H17ClO3/c22-20-12-17(9-10-18(20)13-21(23)24)16-7-4-8-19(11-16)25-14-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,23,24)
InChIKeyJOKHACDSWMBVPH-UHFFFAOYSA-N
MW352.82 g/mol
LogP5.21
Rot. Bonds6

About 2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid

2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid (PubChem CID 176516199) has the molecular formula C21H17ClO3 and a molecular weight of 352.82 g/mol. Its IUPAC name is 2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid
PubChem CID176516199
Molecular FormulaC21H17ClO3
Molecular Weight352.82 g/mol
Exact Mass352.09
IUPAC Name2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cccc(OCc3ccccc3)c2)cc1Cl
InChIInChI=1S/C21H17ClO3/c22-20-12-17(9-10-18(20)13-21(23)24)16-7-4-8-19(11-16)25-14-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,23,24)
InChIKeyJOKHACDSWMBVPH-UHFFFAOYSA-N
XLogP5.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
2-[2-chloro-4-(2-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516188
3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid
CID 58239597
1-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]ethanamine
CID 174674361
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
CID 5002950
2-[3-chloro-4-(4-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516053
1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone
CID 23004910
(2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid
CID 90281986
2-[2-nitro-4-(4-phenylmethoxyphenyl)phenyl]acetic acid
CID 67546640
2-methyl-5-(3-phenylmethoxyphenyl)phenol
CID 53219180
2,4-dichloro-1-[4-(3-phenylmethoxyphenyl)phenoxy]benzene
CID 91251080
benzyl 2-amino-3-(2-chloro-4-phenylphenyl)propanoate
CID 174690151

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid?
The IUPAC name of 2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid (CID 176516199) is 2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid is O=C(O)Cc1ccc(-c2cccc(OCc3ccccc3)c2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid?
The InChIKey is JOKHACDSWMBVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClO3/c22-20-12-17(9-10-18(20)13-21(23)24)16-7-4-8-19(11-16)25-14-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,23,24).
What are the key properties of 2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid?
2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid has a molecular weight of 352.82 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid is sourced from PubChem (CID 176516199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).