(3-tert-butyl-4-methoxyphenyl)-(2-fluorophenyl)methanone

C18H19FO2 — CID 82073359

IUPAC(3-tert-butyl-4-methoxyphenyl)-(2-fluorophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccccc2F)cc1C(C)(C)C
InChIInChI=1S/C18H19FO2/c1-18(2,3)14-11-12(9-10-16(14)21-4)17(20)13-7-5-6-8-15(13)19/h5-11H,1-4H3
InChIKeyVVWGYWYRSNUPIZ-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.36
Rot. Bonds3

About (3-tert-butyl-4-methoxyphenyl)-(2-fluorophenyl)methanone

(3-tert-butyl-4-methoxyphenyl)-(2-fluorophenyl)methanone (PubChem CID 82073359) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is (3-tert-butyl-4-methoxyphenyl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-tert-butyl-4-methoxyphenyl)-(2-fluorophenyl)methanone
PubChem CID82073359
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name(3-tert-butyl-4-methoxyphenyl)-(2-fluorophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccccc2F)cc1C(C)(C)C
InChIInChI=1S/C18H19FO2/c1-18(2,3)14-11-12(9-10-16(14)21-4)17(20)13-7-5-6-8-15(13)19/h5-11H,1-4H3
InChIKeyVVWGYWYRSNUPIZ-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-diethoxyphenyl)-(2-fluorophenyl)methanone
CID 43337653
(2,3-difluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 57322240
(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 104544982
3-(3-tert-butyl-4-methoxyphenyl)-2,2-dimethyl-3-oxopropanenitrile
CID 116919316
(E)-3-(3-tert-butyl-4-methoxyphenyl)but-2-enoic acid
CID 82049439
(3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone
CID 62502800
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 55101814
1-(3-tert-butyl-4-methoxyphenyl)-2-sulfanylethanone
CID 82129796
1-(3-tert-butyl-4-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 95468528
2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone
CID 82048891
(4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 146008152
(3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 59116114

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-4-methoxyphenyl)-(2-fluorophenyl)methanone?
The IUPAC name of (3-tert-butyl-4-methoxyphenyl)-(2-fluorophenyl)methanone (CID 82073359) is (3-tert-butyl-4-methoxyphenyl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (3-tert-butyl-4-methoxyphenyl)-(2-fluorophenyl)methanone?
The canonical SMILES for (3-tert-butyl-4-methoxyphenyl)-(2-fluorophenyl)methanone is COc1ccc(C(=O)c2ccccc2F)cc1C(C)(C)C.
What is the InChIKey of (3-tert-butyl-4-methoxyphenyl)-(2-fluorophenyl)methanone?
The InChIKey is VVWGYWYRSNUPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-18(2,3)14-11-12(9-10-16(14)21-4)17(20)13-7-5-6-8-15(13)19/h5-11H,1-4H3.
What are the key properties of (3-tert-butyl-4-methoxyphenyl)-(2-fluorophenyl)methanone?
(3-tert-butyl-4-methoxyphenyl)-(2-fluorophenyl)methanone has a molecular weight of 286.35 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-4-methoxyphenyl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 82073359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).