3-methoxy-1-(5-methylthiophen-3-yl)propan-1-ol

C9H14O2S — CID 65099648

IUPAC3-methoxy-1-(5-methylthiophen-3-yl)propan-1-ol
SMILESCOCCC(O)c1csc(C)c1
InChIInChI=1S/C9H14O2S/c1-7-5-8(6-12-7)9(10)3-4-11-2/h5-6,9-10H,3-4H2,1-2H3
InChIKeyQCXOSGMEJLSRBW-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.13
Rot. Bonds4

About 3-methoxy-1-(5-methylthiophen-3-yl)propan-1-ol

3-methoxy-1-(5-methylthiophen-3-yl)propan-1-ol (PubChem CID 65099648) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-methoxy-1-(5-methylthiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-(5-methylthiophen-3-yl)propan-1-ol
PubChem CID65099648
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name3-methoxy-1-(5-methylthiophen-3-yl)propan-1-ol
SMILESCOCCC(O)c1csc(C)c1
InChIInChI=1S/C9H14O2S/c1-7-5-8(6-12-7)9(10)3-4-11-2/h5-6,9-10H,3-4H2,1-2H3
InChIKeyQCXOSGMEJLSRBW-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-1-(5-methylthiophen-3-yl)propan-1-ol
CID 115345999
1-(5-bromothiophen-3-yl)-4-methoxybutan-1-ol
CID 105132747
N-ethyl-3-methoxy-1-(5-methylthiophen-3-yl)propan-1-amine
CID 65104795
2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol
CID 65099998
3-methoxy-1-thiophen-3-ylpropan-1-ol
CID 62608736
1-(3,5-difluorophenyl)-3-methoxypropan-1-ol
CID 62606172
1-(5-methylthiophen-3-yl)-2-phenylethanol
CID 65100081
(1R)-1-(5-methylthiophen-3-yl)ethanol
CID 131209035
3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol
CID 62607398
2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol
CID 65099385
2-ethoxy-1-(5-methylthiophen-3-yl)pentan-1-ol
CID 116711503
2-(2-methylphenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethanol
CID 66097358

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(5-methylthiophen-3-yl)propan-1-ol?
The IUPAC name of 3-methoxy-1-(5-methylthiophen-3-yl)propan-1-ol (CID 65099648) is 3-methoxy-1-(5-methylthiophen-3-yl)propan-1-ol.
What is the SMILES notation for 3-methoxy-1-(5-methylthiophen-3-yl)propan-1-ol?
The canonical SMILES for 3-methoxy-1-(5-methylthiophen-3-yl)propan-1-ol is COCCC(O)c1csc(C)c1.
What is the InChIKey of 3-methoxy-1-(5-methylthiophen-3-yl)propan-1-ol?
The InChIKey is QCXOSGMEJLSRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2S/c1-7-5-8(6-12-7)9(10)3-4-11-2/h5-6,9-10H,3-4H2,1-2H3.
What are the key properties of 3-methoxy-1-(5-methylthiophen-3-yl)propan-1-ol?
3-methoxy-1-(5-methylthiophen-3-yl)propan-1-ol has a molecular weight of 186.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(5-methylthiophen-3-yl)propan-1-ol is sourced from PubChem (CID 65099648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).