2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid

C15H12Cl2O3 — CID 5002950

IUPAC2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(Cl)c(OCc2ccccc2)cc1Cl
InChIInChI=1S/C15H12Cl2O3/c16-12-8-14(13(17)6-11(12)7-15(18)19)20-9-10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H,18,19)
InChIKeyGUBMTZFOIDTROF-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.20
Rot. Bonds5

About 2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid

2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid (PubChem CID 5002950) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is 2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
PubChem CID5002950
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(Cl)c(OCc2ccccc2)cc1Cl
InChIInChI=1S/C15H12Cl2O3/c16-12-8-14(13(17)6-11(12)7-15(18)19)20-9-10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H,18,19)
InChIKeyGUBMTZFOIDTROF-UHFFFAOYSA-N
XLogP4.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichloro-5-phenylmethoxyphenyl)methanol
CID 57425039
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
2-[2-chloro-4-(2-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516188
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
CID 22684497
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
2-[3-[(2,4-dichlorophenoxy)methyl]phenyl]acetic acid
CID 155146115
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
benzyl 2-(2,4,5-trichlorophenoxy)acetate
CID 71395919
methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
CID 561937
2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516199
(4-chloro-3-phenylmethoxyphenyl)methanol
CID 66724752

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid?
The IUPAC name of 2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid (CID 5002950) is 2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid?
The canonical SMILES for 2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid is O=C(O)Cc1cc(Cl)c(OCc2ccccc2)cc1Cl.
What is the InChIKey of 2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid?
The InChIKey is GUBMTZFOIDTROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c16-12-8-14(13(17)6-11(12)7-15(18)19)20-9-10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H,18,19).
What are the key properties of 2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid?
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid has a molecular weight of 311.16 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid is sourced from PubChem (CID 5002950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).