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

C16H12ClNO2 — CID 6471496

IUPAC(5-chloro-1H-indol-2-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc3cc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C16H12ClNO2/c1-20-13-4-2-3-10(8-13)16(19)15-9-11-7-12(17)5-6-14(11)18-15/h2-9,18H,1H3
InChIKeyJMTXIYYFDHUZED-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.06
Rot. Bonds3

About (5-chloro-1H-indol-2-yl)-(3-methoxyphenyl)methanone

(5-chloro-1H-indol-2-yl)-(3-methoxyphenyl)methanone (PubChem CID 6471496) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-(3-methoxyphenyl)methanone
PubChem CID6471496
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name(5-chloro-1H-indol-2-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc3cc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C16H12ClNO2/c1-20-13-4-2-3-10(8-13)16(19)15-9-11-7-12(17)5-6-14(11)18-15/h2-9,18H,1H3
InChIKeyJMTXIYYFDHUZED-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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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-(3-methoxyphenyl)methanone (CID 6471496) is (5-chloro-1H-indol-2-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2cc3cc(Cl)ccc3[nH]2)c1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-(3-methoxyphenyl)methanone?
The InChIKey is JMTXIYYFDHUZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-20-13-4-2-3-10(8-13)16(19)15-9-11-7-12(17)5-6-14(11)18-15/h2-9,18H,1H3.
What are the key properties of (5-chloro-1H-indol-2-yl)-(3-methoxyphenyl)methanone?
(5-chloro-1H-indol-2-yl)-(3-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 (5-chloro-1H-indol-2-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 6471496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).