2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone

C17H14ClNO2 — CID 10891912

IUPAC2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
SMILESO=C(CCl)c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C17H14ClNO2/c18-9-17(20)15-10-19-16-7-6-13(8-14(15)16)21-11-12-4-2-1-3-5-12/h1-8,10,19H,9,11H2
InChIKeyYDWQITSRZHKDKB-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.17
Rot. Bonds5

About 2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone

2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone (PubChem CID 10891912) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
PubChem CID10891912
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
SMILESO=C(CCl)c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C17H14ClNO2/c18-9-17(20)15-10-19-16-7-6-13(8-14(15)16)21-11-12-4-2-1-3-5-12/h1-8,10,19H,9,11H2
InChIKeyYDWQITSRZHKDKB-UHFFFAOYSA-N
XLogP4.17
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylamino)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one
CID 170858023
2-azido-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10902848
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
benzyl 2-(5-phenylmethoxy-1H-indole-3-carbonyl)pyrrolidine-2-carboxylate
CID 19029936
(3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one
CID 50901902
6-[(4-fluorophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid
CID 70992531
2-chloro-1-(2-nitro-4-phenylmethoxyphenyl)ethanone
CID 87698415
(E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide
CID 71769665
methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946338
2-chloro-1-(4-phenylmethoxyphenyl)ethanone
CID 14579462

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone (CID 10891912) is 2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone is O=C(CCl)c1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone?
The InChIKey is YDWQITSRZHKDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c18-9-17(20)15-10-19-16-7-6-13(8-14(15)16)21-11-12-4-2-1-3-5-12/h1-8,10,19H,9,11H2.
What are the key properties of 2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone?
2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone has a molecular weight of 299.76 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 10891912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).