2-chlorooxy-2-(2-chlorophenyl)-2-phenylacetic acid

C14H10Cl2O3 — CID 174409827

IUPAC2-chlorooxy-2-(2-chlorophenyl)-2-phenylacetic acid
SMILESO=C(O)C(OCl)(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C14H10Cl2O3/c15-12-9-5-4-8-11(12)14(19-16,13(17)18)10-6-2-1-3-7-10/h1-9H,(H,17,18)
InChIKeyPDDXCCSESDGIFY-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.84
Rot. Bonds4

About 2-chlorooxy-2-(2-chlorophenyl)-2-phenylacetic acid

2-chlorooxy-2-(2-chlorophenyl)-2-phenylacetic acid (PubChem CID 174409827) has the molecular formula C14H10Cl2O3 and a molecular weight of 297.14 g/mol. Its IUPAC name is 2-chlorooxy-2-(2-chlorophenyl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-chlorooxy-2-(2-chlorophenyl)-2-phenylacetic acid
PubChem CID174409827
Molecular FormulaC14H10Cl2O3
Molecular Weight297.14 g/mol
Exact Mass296.00
IUPAC Name2-chlorooxy-2-(2-chlorophenyl)-2-phenylacetic acid
SMILESO=C(O)C(OCl)(c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C14H10Cl2O3/c15-12-9-5-4-8-11(12)14(19-16,13(17)18)10-6-2-1-3-7-10/h1-9H,(H,17,18)
InChIKeyPDDXCCSESDGIFY-UHFFFAOYSA-N
XLogP3.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroperoxy-2,2-diphenylacetic acid
CID 5314128
1-chloro-2-[iodo(diphenyl)methyl]benzene
CID 143164382
2-[[(2-chlorophenyl)-diphenylmethyl]amino]acetic acid
CID 67323005
2-acetyloxy-2-(1,3-benzoxazol-5-yl)-2-(2-chlorophenyl)acetic acid
CID 21434018
2-amino-2-(2-chlorophenyl)-3,3-difluoropropanoic acid
CID 105497059
chloro 2-hydroxy-2,2-diphenylacetate
CID 67237911
2,2-bis(2-chlorophenyl)propanediamide
CID 118221766
2-[2-[carboxy(diphenyl)methoxy]-2,2-diphenylacetyl]oxy-2,2-diphenylacetic acid
CID 57314417
[(2-chlorophenyl)-diphenylmethyl] 2-cyanoacetate
CID 57465007
2-phenyl-2-trimethylsilyloxy-2-(2-trimethylsilylphenyl)acetic acid
CID 170850849
3-(2-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoic acid
CID 83920345
(2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid
CID 93280138

Frequently Asked Questions

What is the IUPAC name of 2-chlorooxy-2-(2-chlorophenyl)-2-phenylacetic acid?
The IUPAC name of 2-chlorooxy-2-(2-chlorophenyl)-2-phenylacetic acid (CID 174409827) is 2-chlorooxy-2-(2-chlorophenyl)-2-phenylacetic acid.
What is the SMILES notation for 2-chlorooxy-2-(2-chlorophenyl)-2-phenylacetic acid?
The canonical SMILES for 2-chlorooxy-2-(2-chlorophenyl)-2-phenylacetic acid is O=C(O)C(OCl)(c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-chlorooxy-2-(2-chlorophenyl)-2-phenylacetic acid?
The InChIKey is PDDXCCSESDGIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O3/c15-12-9-5-4-8-11(12)14(19-16,13(17)18)10-6-2-1-3-7-10/h1-9H,(H,17,18).
What are the key properties of 2-chlorooxy-2-(2-chlorophenyl)-2-phenylacetic acid?
2-chlorooxy-2-(2-chlorophenyl)-2-phenylacetic acid has a molecular weight of 297.14 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorooxy-2-(2-chlorophenyl)-2-phenylacetic acid is sourced from PubChem (CID 174409827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).