(7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone

C16H12ClNO2 — CID 103474392

IUPAC(7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C16H12ClNO2/c1-20-14-8-3-2-5-11(14)16(19)12-9-18-15-10(12)6-4-7-13(15)17/h2-9,18H,1H3
InChIKeyWRNAFZKWWQBGMV-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.06
Rot. Bonds3

About (7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone

(7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone (PubChem CID 103474392) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is (7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone
PubChem CID103474392
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name(7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C16H12ClNO2/c1-20-14-8-3-2-5-11(14)16(19)12-9-18-15-10(12)6-4-7-13(15)17/h2-9,18H,1H3
InChIKeyWRNAFZKWWQBGMV-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

(7-chloro-1H-indol-3-yl)-(2-chlorophenyl)methanone
CID 103474468
(3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103474352
(7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone
CID 103474439
7-chloro-3-methoxy-1H-indole
CID 119084271
(7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)methanone
CID 103474322
(2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475589
(2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475626
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
1-(7-chloro-1H-indol-3-yl)propan-1-one
CID 103474389
(7-chloro-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 103474297
(2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164275
6-(7-chloro-1H-indole-3-carbonyl)pyridine-2-carbonitrile
CID 178155299

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone (CID 103474392) is (7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1c[nH]c2c(Cl)cccc12.
What is the InChIKey of (7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone?
The InChIKey is WRNAFZKWWQBGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-20-14-8-3-2-5-11(14)16(19)12-9-18-15-10(12)6-4-7-13(15)17/h2-9,18H,1H3.
What are the key properties of (7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone?
(7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)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 (7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 103474392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).