2-[2-[4-(difluoromethoxy)phenyl]acetyl]benzoic acid

C16H12F2O4 — CID 147173854

IUPAC2-[2-[4-(difluoromethoxy)phenyl]acetyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H12F2O4/c17-16(18)22-11-7-5-10(6-8-11)9-14(19)12-3-1-2-4-13(12)15(20)21/h1-8,16H,9H2,(H,20,21)
InChIKeyBYGJEKBCKRIHRZ-UHFFFAOYSA-N
MW306.26 g/mol
LogP3.41
Rot. Bonds6

About 2-[2-[4-(difluoromethoxy)phenyl]acetyl]benzoic acid

2-[2-[4-(difluoromethoxy)phenyl]acetyl]benzoic acid (PubChem CID 147173854) has the molecular formula C16H12F2O4 and a molecular weight of 306.26 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)phenyl]acetyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[4-(difluoromethoxy)phenyl]acetyl]benzoic acid
PubChem CID147173854
Molecular FormulaC16H12F2O4
Molecular Weight306.26 g/mol
Exact Mass306.07
IUPAC Name2-[2-[4-(difluoromethoxy)phenyl]acetyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H12F2O4/c17-16(18)22-11-7-5-10(6-8-11)9-14(19)12-3-1-2-4-13(12)15(20)21/h1-8,16H,9H2,(H,20,21)
InChIKeyBYGJEKBCKRIHRZ-UHFFFAOYSA-N
XLogP3.41
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-1-phenylethanone
CID 86101125
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
1-[2-(difluoromethoxy)phenyl]-2-phenylethanone
CID 61079927
5-[2-(2-carboxyphenyl)-2-oxoethyl]-2-fluorobenzoic acid
CID 153291500
2-[2-[4-(2-hydroxyacetyl)phenyl]acetyl]benzoic acid
CID 148651840
2-[4-(difluoromethoxy)anilino]benzoic acid
CID 2398458
2-[2-[4-(3-amino-3-oxopropyl)phenyl]acetyl]benzoic acid
CID 161255029
2-[4-(difluoromethoxy)phenyl]-N-(1,1-diphenylethyl)acetamide
CID 56522955
2-[4-(difluoromethoxy)phenyl]-N-[(2-methylphenyl)methyl]acetamide
CID 33181859
2-[4-(difluoromethoxy)phenyl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 35276883
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664
methyl 2-[2-(4-methoxyphenyl)acetyl]benzoate
CID 14946047

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]acetyl]benzoic acid?
The IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]acetyl]benzoic acid (CID 147173854) is 2-[2-[4-(difluoromethoxy)phenyl]acetyl]benzoic acid.
What is the SMILES notation for 2-[2-[4-(difluoromethoxy)phenyl]acetyl]benzoic acid?
The canonical SMILES for 2-[2-[4-(difluoromethoxy)phenyl]acetyl]benzoic acid is O=C(O)c1ccccc1C(=O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[2-[4-(difluoromethoxy)phenyl]acetyl]benzoic acid?
The InChIKey is BYGJEKBCKRIHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O4/c17-16(18)22-11-7-5-10(6-8-11)9-14(19)12-3-1-2-4-13(12)15(20)21/h1-8,16H,9H2,(H,20,21).
What are the key properties of 2-[2-[4-(difluoromethoxy)phenyl]acetyl]benzoic acid?
2-[2-[4-(difluoromethoxy)phenyl]acetyl]benzoic acid has a molecular weight of 306.26 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(difluoromethoxy)phenyl]acetyl]benzoic acid is sourced from PubChem (CID 147173854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).