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

C17H17ClO4 — CID 126714734

IUPAC2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Cl)cc1OCCOCc1ccccc1
InChIInChI=1S/C17H17ClO4/c18-15-7-6-14(10-17(19)20)16(11-15)22-9-8-21-12-13-4-2-1-3-5-13/h1-7,11H,8-10,12H2,(H,19,20)
InChIKeySPWISGYYPNNYNS-UHFFFAOYSA-N
MW320.77 g/mol
LogP3.56
Rot. Bonds8

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

2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]acetic acid (PubChem CID 126714734) has the molecular formula C17H17ClO4 and a molecular weight of 320.77 g/mol. Its IUPAC name is 2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]acetic acid
PubChem CID126714734
Molecular FormulaC17H17ClO4
Molecular Weight320.77 g/mol
Exact Mass320.08
IUPAC Name2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Cl)cc1OCCOCc1ccccc1
InChIInChI=1S/C17H17ClO4/c18-15-7-6-14(10-17(19)20)16(11-15)22-9-8-21-12-13-4-2-1-3-5-13/h1-7,11H,8-10,12H2,(H,19,20)
InChIKeySPWISGYYPNNYNS-UHFFFAOYSA-N
XLogP3.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-iodo-2-(2-phenylmethoxyethoxy)phenyl]acetyl chloride
CID 166647906
2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-methoxy-1H-indol-3-yl)ethanone
CID 126697668
2-[5-chloro-2-(3-phenylpropoxy)phenyl]acetic acid
CID 10638258
2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]-1-(6-fluoro-1H-indol-3-yl)ethanol
CID 126714735
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
CID 22684497
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
CID 5002950
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
4-bromo-2-chloro-1-(2-phenylmethoxyethoxy)benzene
CID 22503230
4-chloro-2-(2-phenylethoxy)benzoic acid
CID 61379685
2-[2-[5-chloro-2-[2-(8-chloro-4-oxochromen-2-yl)-2-oxoethyl]phenoxy]ethoxy]acetic acid
CID 167567642
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]acetic acid?
The IUPAC name of 2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]acetic acid (CID 126714734) is 2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]acetic acid is O=C(O)Cc1ccc(Cl)cc1OCCOCc1ccccc1.
What is the InChIKey of 2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]acetic acid?
The InChIKey is SPWISGYYPNNYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO4/c18-15-7-6-14(10-17(19)20)16(11-15)22-9-8-21-12-13-4-2-1-3-5-13/h1-7,11H,8-10,12H2,(H,19,20).
What are the key properties of 2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]acetic acid?
2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]acetic acid has a molecular weight of 320.77 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(2-phenylmethoxyethoxy)phenyl]acetic acid is sourced from PubChem (CID 126714734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).