(2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone

C16H11Cl2NO2 — CID 83164275

IUPAC(2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3cccc(Cl)c3Cl)c12
InChIInChI=1S/C16H11Cl2NO2/c1-21-13-7-3-6-12-14(13)10(8-19-12)16(20)9-4-2-5-11(17)15(9)18/h2-8,19H,1H3
InChIKeyFEQDSGHSWYBITD-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.71
Rot. Bonds3

About (2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone

(2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone (PubChem CID 83164275) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
PubChem CID83164275
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC Name(2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3cccc(Cl)c3Cl)c12
InChIInChI=1S/C16H11Cl2NO2/c1-21-13-7-3-6-12-14(13)10(8-19-12)16(20)9-4-2-5-11(17)15(9)18/h2-8,19H,1H3
InChIKeyFEQDSGHSWYBITD-UHFFFAOYSA-N
XLogP4.71
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107096221
(2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164227
(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83162948
(2-amino-4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166272
(3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107950032
(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 114970477
(4-chloro-3-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107998406
(3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone
CID 103400471
(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 83163567
(3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164261
methyl 2-(4-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 53419524
(2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166276

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone (CID 83164275) is (2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone is COc1cccc2[nH]cc(C(=O)c3cccc(Cl)c3Cl)c12.
What is the InChIKey of (2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The InChIKey is FEQDSGHSWYBITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c1-21-13-7-3-6-12-14(13)10(8-19-12)16(20)9-4-2-5-11(17)15(9)18/h2-8,19H,1H3.
What are the key properties of (2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
(2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone has a molecular weight of 320.18 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 83164275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).