4-methoxy-1-thiophen-2-ylhexan-3-one

C11H16O2S — CID 116707110

IUPAC4-methoxy-1-thiophen-2-ylhexan-3-one
SMILESCCC(OC)C(=O)CCc1cccs1
InChIInChI=1S/C11H16O2S/c1-3-11(13-2)10(12)7-6-9-5-4-8-14-9/h4-5,8,11H,3,6-7H2,1-2H3
InChIKeyROBDPSBVQVDTID-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.67
Rot. Bonds6

About 4-methoxy-1-thiophen-2-ylhexan-3-one

4-methoxy-1-thiophen-2-ylhexan-3-one (PubChem CID 116707110) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 4-methoxy-1-thiophen-2-ylhexan-3-one.

Molecular Properties

Compound Name4-methoxy-1-thiophen-2-ylhexan-3-one
PubChem CID116707110
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name4-methoxy-1-thiophen-2-ylhexan-3-one
SMILESCCC(OC)C(=O)CCc1cccs1
InChIInChI=1S/C11H16O2S/c1-3-11(13-2)10(12)7-6-9-5-4-8-14-9/h4-5,8,11H,3,6-7H2,1-2H3
InChIKeyROBDPSBVQVDTID-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-1-thiophen-2-ylheptan-3-one
CID 116707732
3-methoxy-1-thiophen-2-ylhexan-2-one
CID 116708019
5-methyl-1-thiophen-2-ylheptan-3-one
CID 114973234
methyl 2-(thiophen-2-ylmethyl)butanoate;methyl 3-thiophen-2-ylpropanoate
CID 158347877
2-methoxy-3-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 114144206
4-methoxy-4-methyl-1-thiophen-2-ylhexan-3-one
CID 116746515
2-(2-thiophen-2-ylethoxy)butanehydrazide
CID 63568621
5-methyl-1-thiophen-2-ylhexan-3-one
CID 63776280
3-methoxy-1-thiophen-2-ylbutan-2-one
CID 79616178
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 63774976
2-(thiophen-2-ylmethoxy)butanamide
CID 62898972
4-amino-6-methylsulfonyl-1-thiophen-2-ylhexan-3-one
CID 116551988

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-thiophen-2-ylhexan-3-one?
The IUPAC name of 4-methoxy-1-thiophen-2-ylhexan-3-one (CID 116707110) is 4-methoxy-1-thiophen-2-ylhexan-3-one.
What is the SMILES notation for 4-methoxy-1-thiophen-2-ylhexan-3-one?
The canonical SMILES for 4-methoxy-1-thiophen-2-ylhexan-3-one is CCC(OC)C(=O)CCc1cccs1.
What is the InChIKey of 4-methoxy-1-thiophen-2-ylhexan-3-one?
The InChIKey is ROBDPSBVQVDTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-3-11(13-2)10(12)7-6-9-5-4-8-14-9/h4-5,8,11H,3,6-7H2,1-2H3.
What are the key properties of 4-methoxy-1-thiophen-2-ylhexan-3-one?
4-methoxy-1-thiophen-2-ylhexan-3-one has a molecular weight of 212.31 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-thiophen-2-ylhexan-3-one is sourced from PubChem (CID 116707110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).