2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanone

C17H16ClFO2 — CID 63410238

IUPAC2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanone
SMILESCC(C)Oc1ccc(C(=O)Cc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H16ClFO2/c1-11(2)21-15-7-4-12(5-8-15)17(20)9-13-3-6-14(19)10-16(13)18/h3-8,10-11H,9H2,1-2H3
InChIKeyCECPGONNIHHJNU-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.69
Rot. Bonds5

About 2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanone

2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanone (PubChem CID 63410238) has the molecular formula C17H16ClFO2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanone
PubChem CID63410238
Molecular FormulaC17H16ClFO2
Molecular Weight306.76 g/mol
Exact Mass306.08
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanone
SMILESCC(C)Oc1ccc(C(=O)Cc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H16ClFO2/c1-11(2)21-15-7-4-12(5-8-15)17(20)9-13-3-6-14(19)10-16(13)18/h3-8,10-11H,9H2,1-2H3
InChIKeyCECPGONNIHHJNU-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxyaniline
CID 28969852
2-(2-chloro-4-fluorophenyl)-1-(4-cyclopropyloxyphenyl)ethanone
CID 114518830
1-(4-tert-butylphenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 63410452
2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 62621300
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7193460
(2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 63661997
2-(2-bromo-5-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanone
CID 114968117
1-(2-chloro-4-fluorophenyl)-3-methylpentan-2-one
CID 63717028
2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 63411878
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 102617587
(4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 82772715

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanone (CID 63410238) is 2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanone is CC(C)Oc1ccc(C(=O)Cc2ccc(F)cc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanone?
The InChIKey is CECPGONNIHHJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO2/c1-11(2)21-15-7-4-12(5-8-15)17(20)9-13-3-6-14(19)10-16(13)18/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanone?
2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanone has a molecular weight of 306.76 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 63410238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).