2-[4-(2-chloroethoxy)phenyl]acetic acid

C10H11ClO3 — CID 22615229

IUPAC2-[4-(2-chloroethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCCCl)cc1
InChIInChI=1S/C10H11ClO3/c11-5-6-14-9-3-1-8(2-4-9)7-10(12)13/h1-4H,5-7H2,(H,12,13)
InChIKeyIIAIEZNDAFCOSF-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.93
Rot. Bonds5

About 2-[4-(2-chloroethoxy)phenyl]acetic acid

2-[4-(2-chloroethoxy)phenyl]acetic acid (PubChem CID 22615229) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-[4-(2-chloroethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-chloroethoxy)phenyl]acetic acid
PubChem CID22615229
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-[4-(2-chloroethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCCCl)cc1
InChIInChI=1S/C10H11ClO3/c11-5-6-14-9-3-1-8(2-4-9)7-10(12)13/h1-4H,5-7H2,(H,12,13)
InChIKeyIIAIEZNDAFCOSF-UHFFFAOYSA-N
XLogP1.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[4-[3-(4-chlorophenoxy)propoxy]phenyl]acetic acid
CID 22761079
2-[4-(3-hydroxy-3-methylbutoxy)phenyl]acetic acid
CID 79361796
2-(4-pent-3-ynoxyphenyl)acetic acid
CID 104804047
2-[4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]phenyl]acetic acid
CID 175656623
2-[4-[2-(4-chlorophenoxy)ethylsulfanyl]phenyl]acetic acid
CID 64928357
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269
2-[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]acetic acid
CID 82008841
2-[4-[2-(2-iodophenoxy)ethoxy]phenyl]acetic acid
CID 63074837
2-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]acetic acid
CID 61492419
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
2-[4-[3-(ethylamino)-3-oxopropoxy]phenyl]acetic acid
CID 62325818
2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid
CID 175940913

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloroethoxy)phenyl]acetic acid?
The IUPAC name of 2-[4-(2-chloroethoxy)phenyl]acetic acid (CID 22615229) is 2-[4-(2-chloroethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(2-chloroethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[4-(2-chloroethoxy)phenyl]acetic acid is O=C(O)Cc1ccc(OCCCl)cc1.
What is the InChIKey of 2-[4-(2-chloroethoxy)phenyl]acetic acid?
The InChIKey is IIAIEZNDAFCOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c11-5-6-14-9-3-1-8(2-4-9)7-10(12)13/h1-4H,5-7H2,(H,12,13).
What are the key properties of 2-[4-(2-chloroethoxy)phenyl]acetic acid?
2-[4-(2-chloroethoxy)phenyl]acetic acid has a molecular weight of 214.65 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloroethoxy)phenyl]acetic acid is sourced from PubChem (CID 22615229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).