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

C18H17NO2 — CID 59430942

IUPAC(6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3ccc(C)cc3)c(C)[nH]c2c1
InChIInChI=1S/C18H17NO2/c1-11-4-6-13(7-5-11)18(20)17-12(2)19-16-10-14(21-3)8-9-15(16)17/h4-10,19H,1-3H3
InChIKeyCCXJPCLRNBUYOA-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.02
Rot. Bonds3

About (6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone

(6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone (PubChem CID 59430942) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone
PubChem CID59430942
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3ccc(C)cc3)c(C)[nH]c2c1
InChIInChI=1S/C18H17NO2/c1-11-4-6-13(7-5-11)18(20)17-12(2)19-16-10-14(21-3)8-9-15(16)17/h4-10,19H,1-3H3
InChIKeyCCXJPCLRNBUYOA-UHFFFAOYSA-N
XLogP4.02
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-(6-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 154187614
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
methyl 2,6-dimethyl-1H-indole-3-carboxylate
CID 74890490
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 51342127
methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 76852322
5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 6919949
(2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone
CID 82092209
2-(6-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 70238324
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 15104433

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone?
The IUPAC name of (6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone (CID 59430942) is (6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone is COc1ccc2c(C(=O)c3ccc(C)cc3)c(C)[nH]c2c1.
What is the InChIKey of (6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone?
The InChIKey is CCXJPCLRNBUYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-11-4-6-13(7-5-11)18(20)17-12(2)19-16-10-14(21-3)8-9-15(16)17/h4-10,19H,1-3H3.
What are the key properties of (6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone?
(6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone has a molecular weight of 279.34 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 59430942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).