(3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate

C17H14ClNO3 — CID 78874182

IUPAC(3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate
SMILESCOc1ccc2[nH]cc(CC(=O)Oc3cccc(Cl)c3)c2c1
InChIInChI=1S/C17H14ClNO3/c1-21-13-5-6-16-15(9-13)11(10-19-16)7-17(20)22-14-4-2-3-12(18)8-14/h2-6,8-10,19H,7H2,1H3
InChIKeyAZIYCBGEQXUPPH-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.98
Rot. Bonds4

About (3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate

(3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate (PubChem CID 78874182) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is (3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate.

Molecular Properties

Compound Name(3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate
PubChem CID78874182
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name(3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate
SMILESCOc1ccc2[nH]cc(CC(=O)Oc3cccc(Cl)c3)c2c1
InChIInChI=1S/C17H14ClNO3/c1-21-13-5-6-16-15(9-13)11(10-19-16)7-17(20)22-14-4-2-3-12(18)8-14/h2-6,8-10,19H,7H2,1H3
InChIKeyAZIYCBGEQXUPPH-UHFFFAOYSA-N
XLogP3.98
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dichlorophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209712
1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78873695
2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 6733787
N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209629
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 110629562
[(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate
CID 96523711
(3-chlorophenyl) 2-hydroxyacetate
CID 130620336
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 113209591
(3-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)acetate
CID 23169126
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate?
The IUPAC name of (3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate (CID 78874182) is (3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate.
What is the SMILES notation for (3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate?
The canonical SMILES for (3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate is COc1ccc2[nH]cc(CC(=O)Oc3cccc(Cl)c3)c2c1.
What is the InChIKey of (3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate?
The InChIKey is AZIYCBGEQXUPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c1-21-13-5-6-16-15(9-13)11(10-19-16)7-17(20)22-14-4-2-3-12(18)8-14/h2-6,8-10,19H,7H2,1H3.
What are the key properties of (3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate?
(3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate has a molecular weight of 315.76 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate is sourced from PubChem (CID 78874182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).