(3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone

C17H16F2O2 — CID 146005344

IUPAC(3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
SMILESCC(C)(C)Oc1ccc(C(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H16F2O2/c1-17(2,3)21-13-7-4-11(5-8-13)16(20)12-6-9-14(18)15(19)10-12/h4-10H,1-3H3
InChIKeyNAVBNKDPPINRBH-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.37
Rot. Bonds3

About (3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone

(3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone (PubChem CID 146005344) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
PubChem CID146005344
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name(3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
SMILESCC(C)(C)Oc1ccc(C(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H16F2O2/c1-17(2,3)21-13-7-4-11(5-8-13)16(20)12-6-9-14(18)15(19)10-12/h4-10H,1-3H3
InChIKeyNAVBNKDPPINRBH-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-fluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005384
(2,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005353
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
CID 145003434
[4-(dimethylamino)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005383
(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561111
(4-tert-butyl-2,3,5,6-tetrafluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 144950312
[4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone
CID 141016400
[4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone
CID 145003401
[3-(3,4-difluorobenzoyl)phenyl] acetate
CID 24722970
(3,4-difluorophenyl)-(4-iodophenyl)methanone
CID 24723141
4-fluoro-3-[4-[(2-methylpropan-2-yl)oxy]anilino]benzoic acid
CID 110452955
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone (CID 146005344) is (3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone is CC(C)(C)Oc1ccc(C(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of (3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
The InChIKey is NAVBNKDPPINRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-17(2,3)21-13-7-4-11(5-8-13)16(20)12-6-9-14(18)15(19)10-12/h4-10H,1-3H3.
What are the key properties of (3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
(3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone has a molecular weight of 290.31 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone is sourced from PubChem (CID 146005344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).