2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol

C14H20O3S — CID 117424833

IUPAC2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol
SMILESCOc1ccc(C(C)CO)cc1OC1CCSC1
InChIInChI=1S/C14H20O3S/c1-10(8-15)11-3-4-13(16-2)14(7-11)17-12-5-6-18-9-12/h3-4,7,10,12,15H,5-6,8-9H2,1-2H3
InChIKeyVJMFXEUUYQHWSM-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.68
Rot. Bonds5

About 2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol

2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol (PubChem CID 117424833) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol
PubChem CID117424833
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol
SMILESCOc1ccc(C(C)CO)cc1OC1CCSC1
InChIInChI=1S/C14H20O3S/c1-10(8-15)11-3-4-13(16-2)14(7-11)17-12-5-6-18-9-12/h3-4,7,10,12,15H,5-6,8-9H2,1-2H3
InChIKeyVJMFXEUUYQHWSM-UHFFFAOYSA-N
XLogP2.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol
CID 117454015
2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117434756
2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine
CID 117422309
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol
CID 117349285
2-[3-methoxy-4-(thian-3-yloxy)phenyl]propan-1-amine
CID 117451976
1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine
CID 117422381
2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-amine
CID 117451975
2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117349636
1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]ethanone
CID 115005229
4-amino-4-[3-methoxy-4-(thiolan-3-yloxy)phenyl]butanoic acid
CID 117496275
3-[3-methoxy-4-(thian-4-yloxy)phenyl]butanal
CID 117475106
3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane
CID 54051330

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol?
The IUPAC name of 2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol (CID 117424833) is 2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol.
What is the SMILES notation for 2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol?
The canonical SMILES for 2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol is COc1ccc(C(C)CO)cc1OC1CCSC1.
What is the InChIKey of 2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol?
The InChIKey is VJMFXEUUYQHWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c1-10(8-15)11-3-4-13(16-2)14(7-11)17-12-5-6-18-9-12/h3-4,7,10,12,15H,5-6,8-9H2,1-2H3.
What are the key properties of 2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol?
2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol has a molecular weight of 268.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol is sourced from PubChem (CID 117424833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).