2-[2-[(5-chloro-2-ethenylphenyl)methoxy]phenyl]acetic acid

C17H15ClO3 — CID 121347497

IUPAC2-[2-[(5-chloro-2-ethenylphenyl)methoxy]phenyl]acetic acid
SMILESC=Cc1ccc(Cl)cc1COc1ccccc1CC(=O)O
InChIInChI=1S/C17H15ClO3/c1-2-12-7-8-15(18)9-14(12)11-21-16-6-4-3-5-13(16)10-17(19)20/h2-9H,1,10-11H2,(H,19,20)
InChIKeyCMYDIXJRCHHFCA-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.19
Rot. Bonds6

About 2-[2-[(5-chloro-2-ethenylphenyl)methoxy]phenyl]acetic acid

2-[2-[(5-chloro-2-ethenylphenyl)methoxy]phenyl]acetic acid (PubChem CID 121347497) has the molecular formula C17H15ClO3 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-[2-[(5-chloro-2-ethenylphenyl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-chloro-2-ethenylphenyl)methoxy]phenyl]acetic acid
PubChem CID121347497
Molecular FormulaC17H15ClO3
Molecular Weight302.76 g/mol
Exact Mass302.07
IUPAC Name2-[2-[(5-chloro-2-ethenylphenyl)methoxy]phenyl]acetic acid
SMILESC=Cc1ccc(Cl)cc1COc1ccccc1CC(=O)O
InChIInChI=1S/C17H15ClO3/c1-2-12-7-8-15(18)9-14(12)11-21-16-6-4-3-5-13(16)10-17(19)20/h2-9H,1,10-11H2,(H,19,20)
InChIKeyCMYDIXJRCHHFCA-UHFFFAOYSA-N
XLogP4.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2-[(2-ethenylphenyl)methoxy]benzene
CID 70539652
2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
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2-[2-[(5-chloro-2-cyanophenoxy)methyl]phenyl]acetic acid
CID 115460814
2-[2-[(2-chloro-4-cyanophenyl)methoxy]phenyl]acetic acid
CID 102663373
2-[(4-chloro-2-formylphenoxy)methyl]benzoic acid
CID 143555960
2-[5-chloro-2-(3-phenylpropoxy)phenyl]acetic acid
CID 10638258
2-[2-(3-hydroxypropoxy)phenyl]acetic acid
CID 80742548
2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid
CID 80722666
2-[2-[(2-chloroquinolin-4-yl)methoxy]phenyl]acetamide
CID 75511404
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166
(5-chloro-2-ethenylphenyl)methanamine
CID 107430199

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-chloro-2-ethenylphenyl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[(5-chloro-2-ethenylphenyl)methoxy]phenyl]acetic acid (CID 121347497) is 2-[2-[(5-chloro-2-ethenylphenyl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(5-chloro-2-ethenylphenyl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(5-chloro-2-ethenylphenyl)methoxy]phenyl]acetic acid is C=Cc1ccc(Cl)cc1COc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[(5-chloro-2-ethenylphenyl)methoxy]phenyl]acetic acid?
The InChIKey is CMYDIXJRCHHFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO3/c1-2-12-7-8-15(18)9-14(12)11-21-16-6-4-3-5-13(16)10-17(19)20/h2-9H,1,10-11H2,(H,19,20).
What are the key properties of 2-[2-[(5-chloro-2-ethenylphenyl)methoxy]phenyl]acetic acid?
2-[2-[(5-chloro-2-ethenylphenyl)methoxy]phenyl]acetic acid has a molecular weight of 302.76 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-chloro-2-ethenylphenyl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 121347497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).