1H-indol-7-yl-(4-methoxyphenyl)methanone

C16H13NO2 — CID 141393759

IUPAC1H-indol-7-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc3cc[nH]c23)cc1
InChIInChI=1S/C16H13NO2/c1-19-13-7-5-12(6-8-13)16(18)14-4-2-3-11-9-10-17-15(11)14/h2-10,17H,1H3
InChIKeyJWOYKCKRKGBUGI-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.41
Rot. Bonds3

About 1H-indol-7-yl-(4-methoxyphenyl)methanone

1H-indol-7-yl-(4-methoxyphenyl)methanone (PubChem CID 141393759) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1H-indol-7-yl-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name1H-indol-7-yl-(4-methoxyphenyl)methanone
PubChem CID141393759
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name1H-indol-7-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccc3cc[nH]c23)cc1
InChIInChI=1S/C16H13NO2/c1-19-13-7-5-12(6-8-13)16(18)14-4-2-3-11-9-10-17-15(11)14/h2-10,17H,1H3
InChIKeyJWOYKCKRKGBUGI-UHFFFAOYSA-N
XLogP3.41
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1H-indole-7-carboxylate;hydrochloride
CID 175318571
1H-indole-7-carboxylic acid;hydrochloride
CID 67635723
(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
2-(4-methoxybenzoyl)benzoyl chloride
CID 13352630
azane;1H-indole-7-carboxamide
CID 174982702
sodium 1H-indole-7-carbonylazanide
CID 158877903
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
methyl 2-amino-3-(4-methoxybenzoyl)benzoate
CID 18694348
(4-methoxyphenyl)-pyren-1-ylmethanone
CID 23069494
2H-benzotriazol-4-yl-(4-methoxyphenyl)methanone
CID 152779914
2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 15621221
(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
CID 71619058

Frequently Asked Questions

What is the IUPAC name of 1H-indol-7-yl-(4-methoxyphenyl)methanone?
The IUPAC name of 1H-indol-7-yl-(4-methoxyphenyl)methanone (CID 141393759) is 1H-indol-7-yl-(4-methoxyphenyl)methanone.
What is the SMILES notation for 1H-indol-7-yl-(4-methoxyphenyl)methanone?
The canonical SMILES for 1H-indol-7-yl-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cccc3cc[nH]c23)cc1.
What is the InChIKey of 1H-indol-7-yl-(4-methoxyphenyl)methanone?
The InChIKey is JWOYKCKRKGBUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-19-13-7-5-12(6-8-13)16(18)14-4-2-3-11-9-10-17-15(11)14/h2-10,17H,1H3.
What are the key properties of 1H-indol-7-yl-(4-methoxyphenyl)methanone?
1H-indol-7-yl-(4-methoxyphenyl)methanone has a molecular weight of 251.28 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-7-yl-(4-methoxyphenyl)methanone is sourced from PubChem (CID 141393759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).