(3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone

C17H14ClNO2 — CID 107096221

IUPAC(3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3cccc(Cl)c3C)c12
InChIInChI=1S/C17H14ClNO2/c1-10-11(5-3-6-13(10)18)17(20)12-9-19-14-7-4-8-15(21-2)16(12)14/h3-9,19H,1-2H3
InChIKeyLJTQLGYCMDCEAS-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.37
Rot. Bonds3

About (3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone

(3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone (PubChem CID 107096221) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
PubChem CID107096221
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name(3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3cccc(Cl)c3C)c12
InChIInChI=1S/C17H14ClNO2/c1-10-11(5-3-6-13(10)18)17(20)12-9-19-14-7-4-8-15(21-2)16(12)14/h3-9,19H,1-2H3
InChIKeyLJTQLGYCMDCEAS-UHFFFAOYSA-N
XLogP4.37
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164275
(2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164227
(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83162948
(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 83163567
(3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164261
(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
(3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone
CID 103400471
(4-chloro-3-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107998406
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
(3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107950029

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of (3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone (CID 107096221) is (3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone is COc1cccc2[nH]cc(C(=O)c3cccc(Cl)c3C)c12.
What is the InChIKey of (3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The InChIKey is LJTQLGYCMDCEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-10-11(5-3-6-13(10)18)17(20)12-9-19-14-7-4-8-15(21-2)16(12)14/h3-9,19H,1-2H3.
What are the key properties of (3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone?
(3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone has a molecular weight of 299.76 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 107096221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).