4-chloro-2-(2-phenylethoxy)benzoic acid

C15H13ClO3 — CID 61379685

IUPAC4-chloro-2-(2-phenylethoxy)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1OCCc1ccccc1
InChIInChI=1S/C15H13ClO3/c16-12-6-7-13(15(17)18)14(10-12)19-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,18)
InChIKeyDFOKTOGYWQKASD-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.66
Rot. Bonds5

About 4-chloro-2-(2-phenylethoxy)benzoic acid

4-chloro-2-(2-phenylethoxy)benzoic acid (PubChem CID 61379685) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-chloro-2-(2-phenylethoxy)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(2-phenylethoxy)benzoic acid
PubChem CID61379685
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name4-chloro-2-(2-phenylethoxy)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1OCCc1ccccc1
InChIInChI=1S/C15H13ClO3/c16-12-6-7-13(15(17)18)14(10-12)19-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,18)
InChIKeyDFOKTOGYWQKASD-UHFFFAOYSA-N
XLogP3.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(6-hydroxyhexoxy)benzoic acid
CID 104651474
4-fluoro-2-(3-phenylpropoxy)benzoic acid
CID 107014329
4-chloro-2-(2-propoxyphenoxy)benzoic acid
CID 63082699
5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240
2-[2-(3-bromophenoxy)ethoxy]-4-chlorobenzoic acid
CID 45418932
4-chloro-2-hept-6-enoxybenzoic acid
CID 107005942
4-chloro-2-(2,2-difluoroethoxy)benzoic acid
CID 61379224
4-chloro-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 61379733
4-chloro-2-[(3,5-dimethylphenyl)methoxy]benzoic acid
CID 63463866
benzyl 4-chloro-2-phenylmethoxybenzoate
CID 66989997
2-[5-chloro-2-(3-phenylpropoxy)phenyl]acetic acid
CID 10638258
5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid
CID 15604735

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-phenylethoxy)benzoic acid?
The IUPAC name of 4-chloro-2-(2-phenylethoxy)benzoic acid (CID 61379685) is 4-chloro-2-(2-phenylethoxy)benzoic acid.
What is the SMILES notation for 4-chloro-2-(2-phenylethoxy)benzoic acid?
The canonical SMILES for 4-chloro-2-(2-phenylethoxy)benzoic acid is O=C(O)c1ccc(Cl)cc1OCCc1ccccc1.
What is the InChIKey of 4-chloro-2-(2-phenylethoxy)benzoic acid?
The InChIKey is DFOKTOGYWQKASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c16-12-6-7-13(15(17)18)14(10-12)19-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,18).
What are the key properties of 4-chloro-2-(2-phenylethoxy)benzoic acid?
4-chloro-2-(2-phenylethoxy)benzoic acid has a molecular weight of 276.72 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-phenylethoxy)benzoic acid is sourced from PubChem (CID 61379685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).