2-(6-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetyl chloride

C18H14ClNO3 — CID 168946883

IUPAC2-(6-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetyl chloride
SMILESCc1cc(OCc2ccccc2)c2c(C(=O)C(=O)Cl)c[nH]c2c1
InChIInChI=1S/C18H14ClNO3/c1-11-7-14-16(13(9-20-14)17(21)18(19)22)15(8-11)23-10-12-5-3-2-4-6-12/h2-9,20H,10H2,1H3
InChIKeyZFYSFZWWCUVVPP-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.00
Rot. Bonds5

About 2-(6-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetyl chloride

2-(6-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetyl chloride (PubChem CID 168946883) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is 2-(6-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetyl chloride.

Molecular Properties

Compound Name2-(6-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetyl chloride
PubChem CID168946883
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name2-(6-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetyl chloride
SMILESCc1cc(OCc2ccccc2)c2c(C(=O)C(=O)Cl)c[nH]c2c1
InChIInChI=1S/C18H14ClNO3/c1-11-7-14-16(13(9-20-14)17(21)18(19)22)15(8-11)23-10-12-5-3-2-4-6-12/h2-9,20H,10H2,1H3
InChIKeyZFYSFZWWCUVVPP-UHFFFAOYSA-N
XLogP4.00
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetyl chloride
CID 144992404
1-(4-phenylmethoxy-1H-indol-3-yl)ethanone
CID 158905078
2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10891912
N,N-diethyl-2-(7-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetamide
CID 168946916
ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate
CID 10382679
2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone
CID 11370597
2-phenylmethoxybenzoyl chloride
CID 10999355
3-methyl-4-phenylmethoxybenzoyl chloride
CID 18995347
benzyl 2-chloro-2-oxoacetate
CID 11019858
methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate
CID 71187027
N-chloro-4-methyl-2-phenylmethoxyaniline
CID 87749280
2-[(4-methylphenyl)methoxy]benzoyl chloride
CID 46779704

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetyl chloride?
The IUPAC name of 2-(6-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetyl chloride (CID 168946883) is 2-(6-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetyl chloride.
What is the SMILES notation for 2-(6-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetyl chloride?
The canonical SMILES for 2-(6-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetyl chloride is Cc1cc(OCc2ccccc2)c2c(C(=O)C(=O)Cl)c[nH]c2c1.
What is the InChIKey of 2-(6-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetyl chloride?
The InChIKey is ZFYSFZWWCUVVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-11-7-14-16(13(9-20-14)17(21)18(19)22)15(8-11)23-10-12-5-3-2-4-6-12/h2-9,20H,10H2,1H3.
What are the key properties of 2-(6-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetyl chloride?
2-(6-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetyl chloride has a molecular weight of 327.77 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-phenylmethoxy-1H-indol-3-yl)-2-oxoacetyl chloride is sourced from PubChem (CID 168946883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).