(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone

C16H12ClNO2 — CID 83162948

IUPAC(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3ccc(Cl)cc3)c12
InChIInChI=1S/C16H12ClNO2/c1-20-14-4-2-3-13-15(14)12(9-18-13)16(19)10-5-7-11(17)8-6-10/h2-9,18H,1H3
InChIKeyMTEBPGLGWDKDMR-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.06
Rot. Bonds3

About (4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone

(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone (PubChem CID 83162948) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
PubChem CID83162948
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3ccc(Cl)cc3)c12
InChIInChI=1S/C16H12ClNO2/c1-20-14-4-2-3-13-15(14)12(9-18-13)16(19)10-5-7-11(17)8-6-10/h2-9,18H,1H3
InChIKeyMTEBPGLGWDKDMR-UHFFFAOYSA-N
XLogP4.06
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 83163567
(4-chloro-3-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107998406
(3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164261
(3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107950029
(3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166137
(2-amino-4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166272
(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164240
(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
(3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107096221
methyl 2-(4-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 53419524
(3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone
CID 103400471

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone (CID 83162948) is (4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone is COc1cccc2[nH]cc(C(=O)c3ccc(Cl)cc3)c12.
What is the InChIKey of (4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The InChIKey is MTEBPGLGWDKDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-20-14-4-2-3-13-15(14)12(9-18-13)16(19)10-5-7-11(17)8-6-10/h2-9,18H,1H3.
What are the key properties of (4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone has a molecular weight of 285.73 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 83162948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).