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

C17H16Cl2O2 — CID 146005376

IUPAC(2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
SMILESCC(C)(C)Oc1ccc(C(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H16Cl2O2/c1-17(2,3)21-12-9-7-11(8-10-12)16(20)15-13(18)5-4-6-14(15)19/h4-10H,1-3H3
InChIKeyITLJPDNHLFPJIZ-UHFFFAOYSA-N
MW323.22 g/mol
LogP5.40
Rot. Bonds3

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

(2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone (PubChem CID 146005376) has the molecular formula C17H16Cl2O2 and a molecular weight of 323.22 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
PubChem CID146005376
Molecular FormulaC17H16Cl2O2
Molecular Weight323.22 g/mol
Exact Mass322.05
IUPAC Name(2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
SMILESCC(C)(C)Oc1ccc(C(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H16Cl2O2/c1-17(2,3)21-12-9-7-11(8-10-12)16(20)15-13(18)5-4-6-14(15)19/h4-10H,1-3H3
InChIKeyITLJPDNHLFPJIZ-UHFFFAOYSA-N
XLogP5.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.22
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone with MolForge

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Related Compounds

(2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 141016567
lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
CID 18514138
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
CID 145003434
(2,6-dichlorophenyl)-(4-propoxyphenyl)methanone
CID 114971046
[4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone
CID 141016400
lithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173244516
(5-chloro-2-fluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005384
[4-(dimethylamino)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005383
(4-tert-butyl-2,3,5,6-tetrafluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 144950312
[4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone
CID 145003401
(2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 112694085
(3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005344

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
The IUPAC name of (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone (CID 146005376) is (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
The canonical SMILES for (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone is CC(C)(C)Oc1ccc(C(=O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
The InChIKey is ITLJPDNHLFPJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O2/c1-17(2,3)21-12-9-7-11(8-10-12)16(20)15-13(18)5-4-6-14(15)19/h4-10H,1-3H3.
What are the key properties of (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
(2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone has a molecular weight of 323.22 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone is sourced from PubChem (CID 146005376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).