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

C17H15NO3 — CID 43340483

IUPAC(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3ccc(OC)cc23)cc1
InChIInChI=1S/C17H15NO3/c1-20-12-5-3-11(4-6-12)17(19)15-10-18-16-8-7-13(21-2)9-14(15)16/h3-10,18H,1-2H3
InChIKeyVUJQAIPBAGURBJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.42
Rot. Bonds4

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

(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 43340483) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is (5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
PubChem CID43340483
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3ccc(OC)cc23)cc1
InChIInChI=1S/C17H15NO3/c1-20-12-5-3-11(4-6-12)17(19)15-10-18-16-8-7-13(21-2)9-14(15)16/h3-10,18H,1-2H3
InChIKeyVUJQAIPBAGURBJ-UHFFFAOYSA-N
XLogP3.42
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methoxy-1H-indole-3-carbonyl)benzonitrile
CID 53417893
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
(5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 79685949
(3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43248300
(5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340450
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
CID 42585812
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340488
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91757486
(5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone
CID 81127463
phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649114

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone (CID 43340483) is (5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c[nH]c3ccc(OC)cc23)cc1.
What is the InChIKey of (5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is VUJQAIPBAGURBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-12-5-3-11(4-6-12)17(19)15-10-18-16-8-7-13(21-2)9-14(15)16/h3-10,18H,1-2H3.
What are the key properties of (5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone?
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone has a molecular weight of 281.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 43340483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).