3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane

C16H22O3S — CID 54051330

IUPAC3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane
SMILESCOc1ccc(OC2CCSC2)cc1OC1CCCC1
InChIInChI=1S/C16H22O3S/c1-17-15-7-6-13(18-14-8-9-20-11-14)10-16(15)19-12-4-2-3-5-12/h6-7,10,12,14H,2-5,8-9,11H2,1H3
InChIKeyLTBNCAMGGWCCHY-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.90
Rot. Bonds5

About 3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane

3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane (PubChem CID 54051330) has the molecular formula C16H22O3S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane
PubChem CID54051330
Molecular FormulaC16H22O3S
Molecular Weight294.42 g/mol
Exact Mass294.13
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane
SMILESCOc1ccc(OC2CCSC2)cc1OC1CCCC1
InChIInChI=1S/C16H22O3S/c1-17-15-7-6-13(18-14-8-9-20-11-14)10-16(15)19-12-4-2-3-5-12/h6-7,10,12,14H,2-5,8-9,11H2,1H3
InChIKeyLTBNCAMGGWCCHY-UHFFFAOYSA-N
XLogP3.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane 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

1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]ethanone
CID 115005229
2-[4-methoxy-3-(thian-3-yloxy)phenyl]propan-2-amine
CID 117451953
N-methoxy-1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]methanamine
CID 117426802
2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117424833
O-[[4-methoxy-3-(thian-3-yloxy)phenyl]methyl]hydroxylamine
CID 117426919
2-[4-methoxy-3-(thian-4-yloxy)phenyl]piperidine
CID 117492466
1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine
CID 117422381
2-cyclopentyloxy-4-iodo-1-methoxybenzene
CID 11197924
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
2-chloro-4-cyclobutyloxy-1-methoxybenzene
CID 130057041
O-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine
CID 117455774
[4-methoxy-3-(thian-4-yloxy)phenyl]methanamine
CID 115005336

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane (CID 54051330) is 3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane is COc1ccc(OC2CCSC2)cc1OC1CCCC1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane?
The InChIKey is LTBNCAMGGWCCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3S/c1-17-15-7-6-13(18-14-8-9-20-11-14)10-16(15)19-12-4-2-3-5-12/h6-7,10,12,14H,2-5,8-9,11H2,1H3.
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane?
3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane has a molecular weight of 294.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane is sourced from PubChem (CID 54051330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).