1-[4-(3-fluorobenzoyl)phenoxy]cyclopropane-1-carboxylic acid

C17H13FO4 — CID 156775987

IUPAC1-[4-(3-fluorobenzoyl)phenoxy]cyclopropane-1-carboxylic acid
SMILESO=C(c1ccc(OC2(C(=O)O)CC2)cc1)c1cccc(F)c1
InChIInChI=1S/C17H13FO4/c18-13-3-1-2-12(10-13)15(19)11-4-6-14(7-5-11)22-17(8-9-17)16(20)21/h1-7,10H,8-9H2,(H,20,21)
InChIKeyOIHANWXENQYHMN-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.05
Rot. Bonds5

About 1-[4-(3-fluorobenzoyl)phenoxy]cyclopropane-1-carboxylic acid

1-[4-(3-fluorobenzoyl)phenoxy]cyclopropane-1-carboxylic acid (PubChem CID 156775987) has the molecular formula C17H13FO4 and a molecular weight of 300.29 g/mol. Its IUPAC name is 1-[4-(3-fluorobenzoyl)phenoxy]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(3-fluorobenzoyl)phenoxy]cyclopropane-1-carboxylic acid
PubChem CID156775987
Molecular FormulaC17H13FO4
Molecular Weight300.29 g/mol
Exact Mass300.08
IUPAC Name1-[4-(3-fluorobenzoyl)phenoxy]cyclopropane-1-carboxylic acid
SMILESO=C(c1ccc(OC2(C(=O)O)CC2)cc1)c1cccc(F)c1
InChIInChI=1S/C17H13FO4/c18-13-3-1-2-12(10-13)15(19)11-4-6-14(7-5-11)22-17(8-9-17)16(20)21/h1-7,10H,8-9H2,(H,20,21)
InChIKeyOIHANWXENQYHMN-UHFFFAOYSA-N
XLogP3.05
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzoylphenoxy)cyclopropane-1-carboxylic acid
CID 156775993
1-[4-[4-(trifluoromethyl)benzoyl]phenoxy]cyclopropane-1-carboxylic acid
CID 156775962
2-[4-(3-fluorobenzoyl)phenyl]acetic acid
CID 82120891
4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid
CID 56891308
3-(3-fluorophenoxy)piperidine-3-carboxylic acid
CID 84701154
4-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 56885496
(1-aminocyclopentyl)-(3-fluorophenyl)methanone
CID 82283406
(3-fluorophenyl)-(4-nitrophenyl)methanone
CID 24722816
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795
[2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 8676222
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorobenzoyl)phenoxy]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(3-fluorobenzoyl)phenoxy]cyclopropane-1-carboxylic acid (CID 156775987) is 1-[4-(3-fluorobenzoyl)phenoxy]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(3-fluorobenzoyl)phenoxy]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(3-fluorobenzoyl)phenoxy]cyclopropane-1-carboxylic acid is O=C(c1ccc(OC2(C(=O)O)CC2)cc1)c1cccc(F)c1.
What is the InChIKey of 1-[4-(3-fluorobenzoyl)phenoxy]cyclopropane-1-carboxylic acid?
The InChIKey is OIHANWXENQYHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO4/c18-13-3-1-2-12(10-13)15(19)11-4-6-14(7-5-11)22-17(8-9-17)16(20)21/h1-7,10H,8-9H2,(H,20,21).
What are the key properties of 1-[4-(3-fluorobenzoyl)phenoxy]cyclopropane-1-carboxylic acid?
1-[4-(3-fluorobenzoyl)phenoxy]cyclopropane-1-carboxylic acid has a molecular weight of 300.29 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorobenzoyl)phenoxy]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 156775987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).