(3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone

C17H14ClNO2 — CID 83164261

IUPAC(3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3cc(C)cc(Cl)c3)c12
InChIInChI=1S/C17H14ClNO2/c1-10-6-11(8-12(18)7-10)17(20)13-9-19-14-4-3-5-15(21-2)16(13)14/h3-9,19H,1-2H3
InChIKeyIOZAPZOCCDIYKF-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.37
Rot. Bonds3

About (3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone

(3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone (PubChem CID 83164261) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
PubChem CID83164261
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name(3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3cc(C)cc(Cl)c3)c12
InChIInChI=1S/C17H14ClNO2/c1-10-6-11(8-12(18)7-10)17(20)13-9-19-14-4-3-5-15(21-2)16(13)14/h3-9,19H,1-2H3
InChIKeyIOZAPZOCCDIYKF-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

(3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107950029
(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83162948
(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 83163567
(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164240
(4-chloro-3-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107998406
(3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107096221
(2-amino-4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166272
(3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166137
(2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164275
(3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone
CID 103400471
(2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164227
(3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81323304

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of (3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone (CID 83164261) is (3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone is COc1cccc2[nH]cc(C(=O)c3cc(C)cc(Cl)c3)c12.
What is the InChIKey of (3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The InChIKey is IOZAPZOCCDIYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-10-6-11(8-12(18)7-10)17(20)13-9-19-14-4-3-5-15(21-2)16(13)14/h3-9,19H,1-2H3.
What are the key properties of (3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone?
(3-chloro-5-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-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 83164261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).