[3-methoxy-4-(thian-4-yloxy)phenyl]methanol

C13H18O3S — CID 117389372

IUPAC[3-methoxy-4-(thian-4-yloxy)phenyl]methanol
SMILESCOc1cc(CO)ccc1OC1CCSCC1
InChIInChI=1S/C13H18O3S/c1-15-13-8-10(9-14)2-3-12(13)16-11-4-6-17-7-5-11/h2-3,8,11,14H,4-7,9H2,1H3
InChIKeyDLXUAUGCZMCSLP-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.46
Rot. Bonds4

About [3-methoxy-4-(thian-4-yloxy)phenyl]methanol

[3-methoxy-4-(thian-4-yloxy)phenyl]methanol (PubChem CID 117389372) has the molecular formula C13H18O3S and a molecular weight of 254.35 g/mol. Its IUPAC name is [3-methoxy-4-(thian-4-yloxy)phenyl]methanol.

Molecular Properties

Compound Name[3-methoxy-4-(thian-4-yloxy)phenyl]methanol
PubChem CID117389372
Molecular FormulaC13H18O3S
Molecular Weight254.35 g/mol
Exact Mass254.10
IUPAC Name[3-methoxy-4-(thian-4-yloxy)phenyl]methanol
SMILESCOc1cc(CO)ccc1OC1CCSCC1
InChIInChI=1S/C13H18O3S/c1-15-13-8-10(9-14)2-3-12(13)16-11-4-6-17-7-5-11/h2-3,8,11,14H,4-7,9H2,1H3
InChIKeyDLXUAUGCZMCSLP-UHFFFAOYSA-N
XLogP2.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol
CID 107743165
[4-methoxy-3-(thian-4-yloxy)phenyl]methanamine
CID 115005336
2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-ol
CID 117454015
3-methoxy-4-(thian-4-yloxy)benzoic acid
CID 117424675
O-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117391644
2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-amine
CID 117451975
[3-(3,5-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol
CID 64734954
[4-[3-(hydroxymethyl)-3-(methylamino)cyclopentyl]oxy-3-methoxyphenyl]methanol
CID 107745025
2-(3-cyclopropyloxy-4-methoxyphenyl)ethanol
CID 117297599
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 115004271
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
3-[3-methoxy-4-(thian-4-yloxy)phenyl]butanal
CID 117475106

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(thian-4-yloxy)phenyl]methanol?
The IUPAC name of [3-methoxy-4-(thian-4-yloxy)phenyl]methanol (CID 117389372) is [3-methoxy-4-(thian-4-yloxy)phenyl]methanol.
What is the SMILES notation for [3-methoxy-4-(thian-4-yloxy)phenyl]methanol?
The canonical SMILES for [3-methoxy-4-(thian-4-yloxy)phenyl]methanol is COc1cc(CO)ccc1OC1CCSCC1.
What is the InChIKey of [3-methoxy-4-(thian-4-yloxy)phenyl]methanol?
The InChIKey is DLXUAUGCZMCSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3S/c1-15-13-8-10(9-14)2-3-12(13)16-11-4-6-17-7-5-11/h2-3,8,11,14H,4-7,9H2,1H3.
What are the key properties of [3-methoxy-4-(thian-4-yloxy)phenyl]methanol?
[3-methoxy-4-(thian-4-yloxy)phenyl]methanol has a molecular weight of 254.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(thian-4-yloxy)phenyl]methanol is sourced from PubChem (CID 117389372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).