2-(3-fluorophenyl)acetic acid;2-(3-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone

C23H20F2O5 — CID 161326312

IUPAC2-(3-fluorophenyl)acetic acid;2-(3-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2cccc(F)c2)c(O)c1.O=C(O)Cc1cccc(F)c1
InChIInChI=1S/C15H13FO3.C8H7FO2/c1-19-12-5-6-13(15(18)9-12)14(17)8-10-3-2-4-11(16)7-10;9-7-3-1-2-6(4-7)5-8(10)11/h2-7,9,18H,8H2,1H3;1-4H,5H2,(H,10,11)
InChIKeyVKUVTILTDGBTMT-UHFFFAOYSA-N
MW414.40 g/mol
LogP4.42
Rot. Bonds6

About 2-(3-fluorophenyl)acetic acid;2-(3-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone

2-(3-fluorophenyl)acetic acid;2-(3-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone (PubChem CID 161326312) has the molecular formula C23H20F2O5 and a molecular weight of 414.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)acetic acid;2-(3-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)acetic acid;2-(3-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone
PubChem CID161326312
Molecular FormulaC23H20F2O5
Molecular Weight414.40 g/mol
Exact Mass414.13
IUPAC Name2-(3-fluorophenyl)acetic acid;2-(3-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2cccc(F)c2)c(O)c1.O=C(O)Cc1cccc(F)c1
InChIInChI=1S/C15H13FO3.C8H7FO2/c1-19-12-5-6-13(15(18)9-12)14(17)8-10-3-2-4-11(16)7-10;9-7-3-1-2-6(4-7)5-8(10)11/h2-7,9,18H,8H2,1H3;1-4H,5H2,(H,10,11)
InChIKeyVKUVTILTDGBTMT-UHFFFAOYSA-N
XLogP4.42
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 15126648
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
CID 91871428
1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61078965
1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 121242102
1-(2-hydroxy-4-methoxyphenyl)-2-(6-methylnaphthalen-2-yl)ethanone
CID 86168500
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 105405437
1-(2,4-dimethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62387371
2-[(3-fluorophenyl)methoxy]-4-methoxybenzamide
CID 17495497

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)acetic acid;2-(3-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(3-fluorophenyl)acetic acid;2-(3-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone (CID 161326312) is 2-(3-fluorophenyl)acetic acid;2-(3-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)acetic acid;2-(3-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3-fluorophenyl)acetic acid;2-(3-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cc2cccc(F)c2)c(O)c1.O=C(O)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)acetic acid;2-(3-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone?
The InChIKey is VKUVTILTDGBTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3.C8H7FO2/c1-19-12-5-6-13(15(18)9-12)14(17)8-10-3-2-4-11(16)7-10;9-7-3-1-2-6(4-7)5-8(10)11/h2-7,9,18H,8H2,1H3;1-4H,5H2,(H,10,11).
What are the key properties of 2-(3-fluorophenyl)acetic acid;2-(3-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone?
2-(3-fluorophenyl)acetic acid;2-(3-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone has a molecular weight of 414.40 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)acetic acid;2-(3-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone is sourced from PubChem (CID 161326312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).