[4-(methoxymethyl)-3-methylphenyl]-thiophen-2-ylmethanone

C14H14O2S — CID 66635446

IUPAC[4-(methoxymethyl)-3-methylphenyl]-thiophen-2-ylmethanone
SMILESCOCc1ccc(C(=O)c2cccs2)cc1C
InChIInChI=1S/C14H14O2S/c1-10-8-11(5-6-12(10)9-16-2)14(15)13-4-3-7-17-13/h3-8H,9H2,1-2H3
InChIKeyVKZOUWOSENUSBI-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.43
Rot. Bonds4

About [4-(methoxymethyl)-3-methylphenyl]-thiophen-2-ylmethanone

[4-(methoxymethyl)-3-methylphenyl]-thiophen-2-ylmethanone (PubChem CID 66635446) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is [4-(methoxymethyl)-3-methylphenyl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-3-methylphenyl]-thiophen-2-ylmethanone
PubChem CID66635446
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name[4-(methoxymethyl)-3-methylphenyl]-thiophen-2-ylmethanone
SMILESCOCc1ccc(C(=O)c2cccs2)cc1C
InChIInChI=1S/C14H14O2S/c1-10-8-11(5-6-12(10)9-16-2)14(15)13-4-3-7-17-13/h3-8H,9H2,1-2H3
InChIKeyVKZOUWOSENUSBI-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluorophenyl)-[4-(methoxymethyl)-3-methylphenyl]methanone
CID 66635454
methyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate
CID 21391799
[2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride
CID 131667569
1-(4-methylphenyl)-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone
CID 158137220
[2-(3,4-dimethylphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 1218644
2-(methoxymethyl)thiophene
CID 10240820
3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 71803337
(3-aminophenyl)-thiophen-2-ylmethanone
CID 23009095
(3-bromophenyl)-thiophen-2-ylmethanone
CID 5305254
(3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone
CID 82152491
(3-chloro-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone
CID 82052946
ethyl acetate;2-(methoxymethyl)thiophene
CID 174707277

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-3-methylphenyl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(methoxymethyl)-3-methylphenyl]-thiophen-2-ylmethanone (CID 66635446) is [4-(methoxymethyl)-3-methylphenyl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(methoxymethyl)-3-methylphenyl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(methoxymethyl)-3-methylphenyl]-thiophen-2-ylmethanone is COCc1ccc(C(=O)c2cccs2)cc1C.
What is the InChIKey of [4-(methoxymethyl)-3-methylphenyl]-thiophen-2-ylmethanone?
The InChIKey is VKZOUWOSENUSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-10-8-11(5-6-12(10)9-16-2)14(15)13-4-3-7-17-13/h3-8H,9H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-3-methylphenyl]-thiophen-2-ylmethanone?
[4-(methoxymethyl)-3-methylphenyl]-thiophen-2-ylmethanone has a molecular weight of 246.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-3-methylphenyl]-thiophen-2-ylmethanone is sourced from PubChem (CID 66635446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).