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

C15H22O3S — CID 117454015

IUPAC2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol
SMILESCOc1cc(C(C)CO)ccc1OC1CCSCC1
InChIInChI=1S/C15H22O3S/c1-11(10-16)12-3-4-14(15(9-12)17-2)18-13-5-7-19-8-6-13/h3-4,9,11,13,16H,5-8,10H2,1-2H3
InChIKeyXPYMACWIEMYNIY-UHFFFAOYSA-N
MW282.40 g/mol
LogP3.07
Rot. Bonds5

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

2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol (PubChem CID 117454015) has the molecular formula C15H22O3S and a molecular weight of 282.40 g/mol. Its IUPAC name is 2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol
PubChem CID117454015
Molecular FormulaC15H22O3S
Molecular Weight282.40 g/mol
Exact Mass282.13
IUPAC Name2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol
SMILESCOc1cc(C(C)CO)ccc1OC1CCSCC1
InChIInChI=1S/C15H22O3S/c1-11(10-16)12-3-4-14(15(9-12)17-2)18-13-5-7-19-8-6-13/h3-4,9,11,13,16H,5-8,10H2,1-2H3
InChIKeyXPYMACWIEMYNIY-UHFFFAOYSA-N
XLogP3.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117424833
2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-amine
CID 117451975
3-[3-methoxy-4-(thian-4-yloxy)phenyl]butanal
CID 117475106
2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine
CID 117422309
[3-methoxy-4-(thian-4-yloxy)phenyl]methanol
CID 117389372
2-[4-(thian-4-yloxy)phenyl]propan-1-ol
CID 117384499
2-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117434756
2-[4-methoxy-3-(oxetan-3-yloxy)phenyl]propan-1-ol
CID 117349285
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol
CID 117345325
2-[3-methoxy-4-(thian-3-yloxy)phenyl]propan-1-amine
CID 117451976
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 43503851

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol?
The IUPAC name of 2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol (CID 117454015) is 2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol.
What is the SMILES notation for 2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol?
The canonical SMILES for 2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol is COc1cc(C(C)CO)ccc1OC1CCSCC1.
What is the InChIKey of 2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol?
The InChIKey is XPYMACWIEMYNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3S/c1-11(10-16)12-3-4-14(15(9-12)17-2)18-13-5-7-19-8-6-13/h3-4,9,11,13,16H,5-8,10H2,1-2H3.
What are the key properties of 2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol?
2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol has a molecular weight of 282.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol is sourced from PubChem (CID 117454015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).