1-(2-methoxy-3,4-dimethylphenyl)-4-thiophen-2-ylbutan-1-ol

C17H22O2S — CID 103435667

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-4-thiophen-2-ylbutan-1-ol
SMILESCOc1c(C(O)CCCc2cccs2)ccc(C)c1C
InChIInChI=1S/C17H22O2S/c1-12-9-10-15(17(19-3)13(12)2)16(18)8-4-6-14-7-5-11-20-14/h5,7,9-11,16,18H,4,6,8H2,1-3H3
InChIKeyMCBMLAMQYLRHKM-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.43
Rot. Bonds6

About 1-(2-methoxy-3,4-dimethylphenyl)-4-thiophen-2-ylbutan-1-ol

1-(2-methoxy-3,4-dimethylphenyl)-4-thiophen-2-ylbutan-1-ol (PubChem CID 103435667) has the molecular formula C17H22O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-4-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-4-thiophen-2-ylbutan-1-ol
PubChem CID103435667
Molecular FormulaC17H22O2S
Molecular Weight290.43 g/mol
Exact Mass290.13
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-4-thiophen-2-ylbutan-1-ol
SMILESCOc1c(C(O)CCCc2cccs2)ccc(C)c1C
InChIInChI=1S/C17H22O2S/c1-12-9-10-15(17(19-3)13(12)2)16(18)8-4-6-14-7-5-11-20-14/h5,7,9-11,16,18H,4,6,8H2,1-3H3
InChIKeyMCBMLAMQYLRHKM-UHFFFAOYSA-N
XLogP4.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methoxy-3,4-dimethylphenyl)-2-thiophen-2-ylethyl]hydrazine
CID 103435894
1-(2,3-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-ol
CID 65150953
1-(2-methoxy-3,4-dimethylphenyl)decan-1-ol
CID 103435642
1-(2-fluoro-5-methylphenyl)-4-thiophen-2-ylbutan-1-ol
CID 105094222
1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methoxyphenyl)ethanol
CID 103433092
2-methyl-6-thiophen-2-ylhexan-3-ol
CID 63774630
2-(ethylamino)-1-(2-methoxy-3,4-dimethylphenyl)ethanol
CID 103434593
1-amino-5-thiophen-2-ylpentan-2-ol
CID 54294228
7-thiophen-2-ylhept-1-en-4-ol
CID 105081719
1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol
CID 65185856
1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine
CID 105142448
1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105093570

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-4-thiophen-2-ylbutan-1-ol?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-4-thiophen-2-ylbutan-1-ol (CID 103435667) is 1-(2-methoxy-3,4-dimethylphenyl)-4-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-4-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-4-thiophen-2-ylbutan-1-ol is COc1c(C(O)CCCc2cccs2)ccc(C)c1C.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-4-thiophen-2-ylbutan-1-ol?
The InChIKey is MCBMLAMQYLRHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2S/c1-12-9-10-15(17(19-3)13(12)2)16(18)8-4-6-14-7-5-11-20-14/h5,7,9-11,16,18H,4,6,8H2,1-3H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-4-thiophen-2-ylbutan-1-ol?
1-(2-methoxy-3,4-dimethylphenyl)-4-thiophen-2-ylbutan-1-ol has a molecular weight of 290.43 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-4-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 103435667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).