3-(prop-2-ynoxymethyl)thiophene

C8H8OS — CID 134859013

IUPAC3-(prop-2-ynoxymethyl)thiophene
SMILESC#CCOCc1ccsc1
InChIInChI=1S/C8H8OS/c1-2-4-9-6-8-3-5-10-7-8/h1,3,5,7H,4,6H2
InChIKeyKFCUFMZLPWKVOS-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.90
Rot. Bonds3

About 3-(prop-2-ynoxymethyl)thiophene

3-(prop-2-ynoxymethyl)thiophene (PubChem CID 134859013) has the molecular formula C8H8OS and a molecular weight of 152.22 g/mol. Its IUPAC name is 3-(prop-2-ynoxymethyl)thiophene.

Molecular Properties

Compound Name3-(prop-2-ynoxymethyl)thiophene
PubChem CID134859013
Molecular FormulaC8H8OS
Molecular Weight152.22 g/mol
Exact Mass152.03
IUPAC Name3-(prop-2-ynoxymethyl)thiophene
SMILESC#CCOCc1ccsc1
InChIInChI=1S/C8H8OS/c1-2-4-9-6-8-3-5-10-7-8/h1,3,5,7H,4,6H2
InChIKeyKFCUFMZLPWKVOS-UHFFFAOYSA-N
XLogP1.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(prop-2-ynoxymethyl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(thiophen-3-ylmethoxy)ethanamine
CID 62343609
(2S)-1-[propyl(thiophen-3-ylmethyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 93162562
1,3-bis(bromomethyl)-5-(prop-2-ynoxymethyl)benzene
CID 162774528
benzene-1,4-diol;3-prop-2-ynoxyprop-1-yne
CID 22749294
3-(propan-2-yloxymethyl)thiophene
CID 146745191
2-methyl-1-prop-2-ynyl-3-(thiophen-3-ylmethyl)guanidine
CID 111849920
1-ethenylsulfanyloxy-4-(prop-2-ynoxymethyl)benzene
CID 142545663
1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea
CID 130682664
1-methyl-7-(prop-2-ynoxymethyl)naphthalene
CID 170199430
3-(ethoxysulfanyloxymethyl)thiophene
CID 175087369
1,3-bis[(3,5-dimethoxyphenyl)methoxy]-5-(prop-2-ynoxymethyl)benzene
CID 101386710
[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine
CID 114318379

Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-ynoxymethyl)thiophene?
The IUPAC name of 3-(prop-2-ynoxymethyl)thiophene (CID 134859013) is 3-(prop-2-ynoxymethyl)thiophene.
What is the SMILES notation for 3-(prop-2-ynoxymethyl)thiophene?
The canonical SMILES for 3-(prop-2-ynoxymethyl)thiophene is C#CCOCc1ccsc1.
What is the InChIKey of 3-(prop-2-ynoxymethyl)thiophene?
The InChIKey is KFCUFMZLPWKVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS/c1-2-4-9-6-8-3-5-10-7-8/h1,3,5,7H,4,6H2.
What are the key properties of 3-(prop-2-ynoxymethyl)thiophene?
3-(prop-2-ynoxymethyl)thiophene has a molecular weight of 152.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-ynoxymethyl)thiophene is sourced from PubChem (CID 134859013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).