4-methoxy-1-(4-methoxythiophen-2-yl)-2-methylbutan-1-ol

C11H18O3S — CID 115836147

IUPAC4-methoxy-1-(4-methoxythiophen-2-yl)-2-methylbutan-1-ol
SMILESCOCCC(C)C(O)c1cc(OC)cs1
InChIInChI=1S/C11H18O3S/c1-8(4-5-13-2)11(12)10-6-9(14-3)7-15-10/h6-8,11-12H,4-5H2,1-3H3
InChIKeyLKGMUQBPZKGQDO-UHFFFAOYSA-N
MW230.33 g/mol
LogP2.46
Rot. Bonds6

About 4-methoxy-1-(4-methoxythiophen-2-yl)-2-methylbutan-1-ol

4-methoxy-1-(4-methoxythiophen-2-yl)-2-methylbutan-1-ol (PubChem CID 115836147) has the molecular formula C11H18O3S and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-methoxy-1-(4-methoxythiophen-2-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-methoxy-1-(4-methoxythiophen-2-yl)-2-methylbutan-1-ol
PubChem CID115836147
Molecular FormulaC11H18O3S
Molecular Weight230.33 g/mol
Exact Mass230.10
IUPAC Name4-methoxy-1-(4-methoxythiophen-2-yl)-2-methylbutan-1-ol
SMILESCOCCC(C)C(O)c1cc(OC)cs1
InChIInChI=1S/C11H18O3S/c1-8(4-5-13-2)11(12)10-6-9(14-3)7-15-10/h6-8,11-12H,4-5H2,1-3H3
InChIKeyLKGMUQBPZKGQDO-UHFFFAOYSA-N
XLogP2.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-(4-methoxythiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 105044507
1-(4-methoxythiophen-2-yl)ethanol
CID 115840733
1-(4-methoxythiophen-2-yl)hex-5-en-1-ol
CID 115804240
3-amino-2-(3,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)propan-1-ol
CID 81129593
1-(4-methoxythiophen-2-yl)pentan-1-ol
CID 115783270
(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115821638
1-(3-chloro-4-methylthiophen-2-yl)-4-methoxy-2-methylbutan-1-ol
CID 103408273
1-(4-methoxythiophen-2-yl)hex-4-yn-1-ol
CID 115833633
1-(4-methoxythiophen-2-yl)-N,2-dimethylbutan-1-amine
CID 105017620
4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine
CID 105054949
[1-(4-methoxythiophen-2-yl)-2-methylpentyl]hydrazine
CID 107896030
1-(4-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-ol
CID 115780120

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methoxythiophen-2-yl)-2-methylbutan-1-ol?
The IUPAC name of 4-methoxy-1-(4-methoxythiophen-2-yl)-2-methylbutan-1-ol (CID 115836147) is 4-methoxy-1-(4-methoxythiophen-2-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 4-methoxy-1-(4-methoxythiophen-2-yl)-2-methylbutan-1-ol?
The canonical SMILES for 4-methoxy-1-(4-methoxythiophen-2-yl)-2-methylbutan-1-ol is COCCC(C)C(O)c1cc(OC)cs1.
What is the InChIKey of 4-methoxy-1-(4-methoxythiophen-2-yl)-2-methylbutan-1-ol?
The InChIKey is LKGMUQBPZKGQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3S/c1-8(4-5-13-2)11(12)10-6-9(14-3)7-15-10/h6-8,11-12H,4-5H2,1-3H3.
What are the key properties of 4-methoxy-1-(4-methoxythiophen-2-yl)-2-methylbutan-1-ol?
4-methoxy-1-(4-methoxythiophen-2-yl)-2-methylbutan-1-ol has a molecular weight of 230.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-methoxythiophen-2-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 115836147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).