1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone

C22H25FO3 — CID 134401525

IUPAC1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone
SMILESCC(=O)C1CC1COCc1ccc(-c2cc(OC(C)C)ccc2F)cc1
InChIInChI=1S/C22H25FO3/c1-14(2)26-19-8-9-22(23)21(11-19)17-6-4-16(5-7-17)12-25-13-18-10-20(18)15(3)24/h4-9,11,14,18,20H,10,12-13H2,1-3H3
InChIKeyJHAHLMRTUOLIMZ-UHFFFAOYSA-N
MW356.44 g/mol
LogP5.02
Rot. Bonds8

About 1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone

1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone (PubChem CID 134401525) has the molecular formula C22H25FO3 and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone
PubChem CID134401525
Molecular FormulaC22H25FO3
Molecular Weight356.44 g/mol
Exact Mass356.18
IUPAC Name1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone
SMILESCC(=O)C1CC1COCc1ccc(-c2cc(OC(C)C)ccc2F)cc1
InChIInChI=1S/C22H25FO3/c1-14(2)26-19-8-9-22(23)21(11-19)17-6-4-16(5-7-17)12-25-13-18-10-20(18)15(3)24/h4-9,11,14,18,20H,10,12-13H2,1-3H3
InChIKeyJHAHLMRTUOLIMZ-UHFFFAOYSA-N
XLogP5.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.44
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone with MolForge

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Related Compounds

cis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid
CID 130387038
trans-(1R,2S)-2-[2-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
CID 130387004
2-[(1S,2S)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclopropyl]acetic acid
CID 130386885
[2-[3-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclobutyl]-2-oxoethylidene]azanium
CID 145039193
(E)-5-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]-2-methylpent-2-enoic acid
CID 130386976
2-[[4-(5-cyclobutyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386999
cis-(1R,2R)-2-[[4-(5-cyclopentyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 135359405
cis-(1R,2R)-2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386955
2-[[4-[2-fluoro-5-(3-fluorophenoxy)phenyl]phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386989
methyl 5-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]spiro[2.3]hexane-2-carboxylate
CID 118951597
ethyl 2-(4-fluoro-3-phenylphenoxy)propanoate
CID 141200416
cis-(1R,2R)-2-[[4-(3-methoxy-5-propan-2-yloxyphenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386864

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone?
The IUPAC name of 1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone (CID 134401525) is 1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone is CC(=O)C1CC1COCc1ccc(-c2cc(OC(C)C)ccc2F)cc1.
What is the InChIKey of 1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone?
The InChIKey is JHAHLMRTUOLIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FO3/c1-14(2)26-19-8-9-22(23)21(11-19)17-6-4-16(5-7-17)12-25-13-18-10-20(18)15(3)24/h4-9,11,14,18,20H,10,12-13H2,1-3H3.
What are the key properties of 1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone?
1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone has a molecular weight of 356.44 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone is sourced from PubChem (CID 134401525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).