(2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone

C19H22O4 — CID 141016567

IUPAC(2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
SMILESCOc1cccc(OC)c1C(=O)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C19H22O4/c1-19(2,3)23-14-11-9-13(10-12-14)18(20)17-15(21-4)7-6-8-16(17)22-5/h6-12H,1-5H3
InChIKeyPONJKJUHMPNXAF-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.11
Rot. Bonds5

About (2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone

(2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone (PubChem CID 141016567) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
PubChem CID141016567
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name(2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
SMILESCOc1cccc(OC)c1C(=O)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C19H22O4/c1-19(2,3)23-14-11-9-13(10-12-14)18(20)17-15(21-4)7-6-8-16(17)22-5/h6-12H,1-5H3
InChIKeyPONJKJUHMPNXAF-UHFFFAOYSA-N
XLogP4.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005376
[4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone
CID 145003401
[4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone
CID 141016400
(2-ethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005373
(2,6-dimethoxyphenyl)-(4-ethylphenyl)methanone
CID 43338330
lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173243510
[4-(dimethylamino)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005383
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
CID 145003434
(4-tert-butyl-2,3,5,6-tetrafluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 144950312
CID 70015745
CID 70015745
(2,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005353
(3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005344

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone (CID 141016567) is (2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone is COc1cccc(OC)c1C(=O)c1ccc(OC(C)(C)C)cc1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
The InChIKey is PONJKJUHMPNXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-19(2,3)23-14-11-9-13(10-12-14)18(20)17-15(21-4)7-6-8-16(17)22-5/h6-12H,1-5H3.
What are the key properties of (2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
(2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone has a molecular weight of 314.38 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone is sourced from PubChem (CID 141016567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).