2-[2-(chlorooxymethyl)phenyl]acetic acid

C9H9ClO3 — CID 174719829

IUPAC2-[2-(chlorooxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1COCl
InChIInChI=1S/C9H9ClO3/c10-13-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6H2,(H,11,12)
InChIKeyBRJMOYIKSUEQSM-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.98
Rot. Bonds4

About 2-[2-(chlorooxymethyl)phenyl]acetic acid

2-[2-(chlorooxymethyl)phenyl]acetic acid (PubChem CID 174719829) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-[2-(chlorooxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(chlorooxymethyl)phenyl]acetic acid
PubChem CID174719829
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name2-[2-(chlorooxymethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1COCl
InChIInChI=1S/C9H9ClO3/c10-13-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6H2,(H,11,12)
InChIKeyBRJMOYIKSUEQSM-UHFFFAOYSA-N
XLogP1.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 172781001
CID 172781001
CID 172781038
CID 172781038
chloro hypochlorite;2-phenylacetic acid
CID 174297587
2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
CID 22366404
benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid
CID 21468463
2-[2-(3-methylbutan-2-yloxymethyl)phenyl]acetic acid
CID 115460803
azane;2-(2-ethylphenyl)acetic acid
CID 70384426
2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid
CID 91115166
2-[2-(2-methylbutan-2-yloxymethyl)phenyl]acetic acid
CID 115460664
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
2-phenylacetic acid;silver
CID 50912513
copper 2-phenylacetic acid
CID 54609410

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chlorooxymethyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(chlorooxymethyl)phenyl]acetic acid (CID 174719829) is 2-[2-(chlorooxymethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(chlorooxymethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(chlorooxymethyl)phenyl]acetic acid is O=C(O)Cc1ccccc1COCl.
What is the InChIKey of 2-[2-(chlorooxymethyl)phenyl]acetic acid?
The InChIKey is BRJMOYIKSUEQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c10-13-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6H2,(H,11,12).
What are the key properties of 2-[2-(chlorooxymethyl)phenyl]acetic acid?
2-[2-(chlorooxymethyl)phenyl]acetic acid has a molecular weight of 200.62 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chlorooxymethyl)phenyl]acetic acid is sourced from PubChem (CID 174719829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).