1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone

C13H11ClO2S — CID 62030962

IUPAC1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClO2S/c14-13-7-6-12(17-13)11(15)9-16-8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyIRHIRRXCXBKNBR-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.80
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone

1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone (PubChem CID 62030962) has the molecular formula C13H11ClO2S and a molecular weight of 266.75 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone
PubChem CID62030962
Molecular FormulaC13H11ClO2S
Molecular Weight266.75 g/mol
Exact Mass266.02
IUPAC Name1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClO2S/c14-13-7-6-12(17-13)11(15)9-16-8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyIRHIRRXCXBKNBR-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone
CID 65126522
1-(5-chlorothiophen-2-yl)-2-(2-methylpentoxy)ethanone
CID 103284397
1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone
CID 62030960
1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone
CID 43413346
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-hydroxybenzoate
CID 2680051
4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide
CID 18108735
[2-(dibenzylamino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 4845023
1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413871
1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone
CID 146009929
sodium;hydride;2-phenylmethoxyacetic acid
CID 174345523
1-chloro-4-phenylmethoxybutane-2,3-dione
CID 87706836
methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate
CID 146010495

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone (CID 62030962) is 1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone is O=C(COCc1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone?
The InChIKey is IRHIRRXCXBKNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2S/c14-13-7-6-12(17-13)11(15)9-16-8-10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone?
1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone has a molecular weight of 266.75 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-phenylmethoxyethanone is sourced from PubChem (CID 62030962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).