2-[(2-chlorophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone

C14H14ClNO2 — CID 62029649

IUPAC2-[(2-chlorophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCn1ccc(C(=O)COCc2ccccc2Cl)c1
InChIInChI=1S/C14H14ClNO2/c1-16-7-6-11(8-16)14(17)10-18-9-12-4-2-3-5-13(12)15/h2-8H,9-10H2,1H3
InChIKeySFXYVBXBPRLDFH-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.08
Rot. Bonds5

About 2-[(2-chlorophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone

2-[(2-chlorophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 62029649) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID62029649
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name2-[(2-chlorophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCn1ccc(C(=O)COCc2ccccc2Cl)c1
InChIInChI=1S/C14H14ClNO2/c1-16-7-6-11(8-16)14(17)10-18-9-12-4-2-3-5-13(12)15/h2-8H,9-10H2,1H3
InChIKeySFXYVBXBPRLDFH-UHFFFAOYSA-N
XLogP3.08
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methoxy]-1-(3,4-dimethylphenyl)ethanone
CID 62030602
2-[(3-bromophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone
CID 82826756
2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone
CID 62030412
2-but-2-enoxy-1-(1-methylpyrrol-3-yl)ethanone
CID 76938136
4-[(2-chlorophenyl)methoxy]butan-2-one
CID 62030218
2-(2-oxo-1-pyridinyl)ethyl 2-[(2-chlorophenyl)methoxy]acetate
CID 86865800
1-(4-chlorophenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63935941
2-[(2-chlorophenyl)methoxy]-1-(3,5-dimethylpiperazin-1-yl)ethanone;hydrochloride
CID 119564197
methyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate
CID 87040393
1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone
CID 110804329
2-(4-bromo-2-chloro-5-fluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 114270934
2-[(2-chlorophenyl)methoxy]-N'-(4-cyano-1,3-dimethylpyrazol-5-yl)acetohydrazide
CID 155964304

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone (CID 62029649) is 2-[(2-chlorophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone is Cn1ccc(C(=O)COCc2ccccc2Cl)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is SFXYVBXBPRLDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-16-7-6-11(8-16)14(17)10-18-9-12-4-2-3-5-13(12)15/h2-8H,9-10H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone?
2-[(2-chlorophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 263.72 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 62029649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).