4-methyl-5-thiophen-3-ylpentan-2-ol

C10H16OS — CID 64719896

IUPAC4-methyl-5-thiophen-3-ylpentan-2-ol
SMILESCC(O)CC(C)Cc1ccsc1
InChIInChI=1S/C10H16OS/c1-8(5-9(2)11)6-10-3-4-12-7-10/h3-4,7-9,11H,5-6H2,1-2H3
InChIKeyURVNLMHSMBXTFN-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.70
Rot. Bonds4

About 4-methyl-5-thiophen-3-ylpentan-2-ol

4-methyl-5-thiophen-3-ylpentan-2-ol (PubChem CID 64719896) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 4-methyl-5-thiophen-3-ylpentan-2-ol.

Molecular Properties

Compound Name4-methyl-5-thiophen-3-ylpentan-2-ol
PubChem CID64719896
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name4-methyl-5-thiophen-3-ylpentan-2-ol
SMILESCC(O)CC(C)Cc1ccsc1
InChIInChI=1S/C10H16OS/c1-8(5-9(2)11)6-10-3-4-12-7-10/h3-4,7-9,11H,5-6H2,1-2H3
InChIKeyURVNLMHSMBXTFN-UHFFFAOYSA-N
XLogP2.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-methylpentyl)thiophene
CID 64721699
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62505176
4-methyl-1-thiophen-3-ylpentane-2,3-diol
CID 103456677
3-(2-fluoropropyl)thiophene
CID 74766003
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62530694
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol
CID 79087960
3-(2-ethylbutyl)thiophene
CID 89133993
5-methyl-1-thiophen-3-ylheptan-3-ol
CID 115798340

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-thiophen-3-ylpentan-2-ol?
The IUPAC name of 4-methyl-5-thiophen-3-ylpentan-2-ol (CID 64719896) is 4-methyl-5-thiophen-3-ylpentan-2-ol.
What is the SMILES notation for 4-methyl-5-thiophen-3-ylpentan-2-ol?
The canonical SMILES for 4-methyl-5-thiophen-3-ylpentan-2-ol is CC(O)CC(C)Cc1ccsc1.
What is the InChIKey of 4-methyl-5-thiophen-3-ylpentan-2-ol?
The InChIKey is URVNLMHSMBXTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-8(5-9(2)11)6-10-3-4-12-7-10/h3-4,7-9,11H,5-6H2,1-2H3.
What are the key properties of 4-methyl-5-thiophen-3-ylpentan-2-ol?
4-methyl-5-thiophen-3-ylpentan-2-ol has a molecular weight of 184.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-thiophen-3-ylpentan-2-ol is sourced from PubChem (CID 64719896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).