2-[2-(2-chloro-4-ethylphenoxy)phenyl]acetic acid

C16H15ClO3 — CID 15581880

IUPAC2-[2-(2-chloro-4-ethylphenoxy)phenyl]acetic acid
SMILESCCc1ccc(Oc2ccccc2CC(=O)O)c(Cl)c1
InChIInChI=1S/C16H15ClO3/c1-2-11-7-8-15(13(17)9-11)20-14-6-4-3-5-12(14)10-16(18)19/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyRQSNOKCYUHXVEK-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.32
Rot. Bonds5

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

2-[2-(2-chloro-4-ethylphenoxy)phenyl]acetic acid (PubChem CID 15581880) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-ethylphenoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-chloro-4-ethylphenoxy)phenyl]acetic acid
PubChem CID15581880
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name2-[2-(2-chloro-4-ethylphenoxy)phenyl]acetic acid
SMILESCCc1ccc(Oc2ccccc2CC(=O)O)c(Cl)c1
InChIInChI=1S/C16H15ClO3/c1-2-11-7-8-15(13(17)9-11)20-14-6-4-3-5-12(14)10-16(18)19/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyRQSNOKCYUHXVEK-UHFFFAOYSA-N
XLogP4.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619
1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine
CID 81160068
2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid
CID 13409359
2-(4-butoxy-3-chlorophenyl)acetic acid
CID 27380
2-[2-(4-chloro-2-cyanophenoxy)phenyl]acetic acid
CID 80742621
2-(2,4-dichlorophenoxy)-5-ethylphenol
CID 25023958
2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid
CID 21113142
2-[2-(2,4-dibromophenoxy)phenyl]acetic acid
CID 15581881
2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
CID 81144706
2-[2-(2-aminophenoxy)phenyl]acetic acid
CID 13409453
1-(diethylamino)ethyl 2-[2-(2,4-dichlorophenoxy)phenyl]acetate
CID 67460438
[4-(2-ethylphenoxy)-3-methylphenyl]methanol
CID 62125436

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-ethylphenoxy)phenyl]acetic acid?
The IUPAC name of 2-[2-(2-chloro-4-ethylphenoxy)phenyl]acetic acid (CID 15581880) is 2-[2-(2-chloro-4-ethylphenoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-chloro-4-ethylphenoxy)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2-chloro-4-ethylphenoxy)phenyl]acetic acid is CCc1ccc(Oc2ccccc2CC(=O)O)c(Cl)c1.
What is the InChIKey of 2-[2-(2-chloro-4-ethylphenoxy)phenyl]acetic acid?
The InChIKey is RQSNOKCYUHXVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-2-11-7-8-15(13(17)9-11)20-14-6-4-3-5-12(14)10-16(18)19/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of 2-[2-(2-chloro-4-ethylphenoxy)phenyl]acetic acid?
2-[2-(2-chloro-4-ethylphenoxy)phenyl]acetic acid has a molecular weight of 290.75 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-ethylphenoxy)phenyl]acetic acid is sourced from PubChem (CID 15581880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).