(5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone

C16H16ClNO2 — CID 105094111

IUPAC(5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C16H16ClNO2/c1-18(2)13-6-4-5-11(9-13)16(19)14-10-12(17)7-8-15(14)20-3/h4-10H,1-3H3
InChIKeyOHPPOHAEKAQQLT-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.65
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone

(5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone (PubChem CID 105094111) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone
PubChem CID105094111
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name(5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C16H16ClNO2/c1-18(2)13-6-4-5-11(9-13)16(19)14-10-12(17)7-8-15(14)20-3/h4-10H,1-3H3
InChIKeyOHPPOHAEKAQQLT-UHFFFAOYSA-N
XLogP3.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
[3-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 105127292
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2458837
(5-chloro-2-methoxyphenyl)-(2,3-dichlorophenyl)methanone
CID 86028415
[3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone
CID 105099010
(4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 114962459
(2-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 112694005
(5-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 113425387
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone (CID 105094111) is (5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone is COc1ccc(Cl)cc1C(=O)c1cccc(N(C)C)c1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone?
The InChIKey is OHPPOHAEKAQQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-18(2)13-6-4-5-11(9-13)16(19)14-10-12(17)7-8-15(14)20-3/h4-10H,1-3H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone?
(5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone has a molecular weight of 289.76 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 105094111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).