2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol

C10H16O2S — CID 116710769

IUPAC2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol
SMILESCCC(OC)C(O)c1sccc1C
InChIInChI=1S/C10H16O2S/c1-4-8(12-3)9(11)10-7(2)5-6-13-10/h5-6,8-9,11H,4H2,1-3H3
InChIKeyKSXYLVPZGNPWQJ-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.51
Rot. Bonds4

About 2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol

2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol (PubChem CID 116710769) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol
PubChem CID116710769
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol
SMILESCCC(OC)C(O)c1sccc1C
InChIInChI=1S/C10H16O2S/c1-4-8(12-3)9(11)10-7(2)5-6-13-10/h5-6,8-9,11H,4H2,1-3H3
InChIKeyKSXYLVPZGNPWQJ-UHFFFAOYSA-N
XLogP2.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-1-(3-methylthiophen-2-yl)butan-2-ol
CID 130144766
2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol
CID 116863428
2-(3-methylthiophen-2-yl)butane-1-thiol
CID 123457832
3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol
CID 82927974
(1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222735
N-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine
CID 116719262
2-amino-1-(3-methylthiophen-2-yl)butane-1,4-diol
CID 83929127
3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol
CID 65148368
ethyl 2-amino-2-(3-methylthiophen-2-yl)acetate
CID 4654193
2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol
CID 116751816
3,4-dihydroxy-4-(3-methylthiophen-2-yl)butanoic acid
CID 171877069
2-(diethoxymethyl)-3-methylthiophene
CID 146004797

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol?
The IUPAC name of 2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol (CID 116710769) is 2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol.
What is the SMILES notation for 2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol?
The canonical SMILES for 2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol is CCC(OC)C(O)c1sccc1C.
What is the InChIKey of 2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol?
The InChIKey is KSXYLVPZGNPWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-4-8(12-3)9(11)10-7(2)5-6-13-10/h5-6,8-9,11H,4H2,1-3H3.
What are the key properties of 2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol?
2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol has a molecular weight of 200.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol is sourced from PubChem (CID 116710769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).