1-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propan-1-ol

C18H18O2S — CID 63738620

IUPAC1-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(OCc2csc3ccccc23)cc1
InChIInChI=1S/C18H18O2S/c1-2-17(19)13-7-9-15(10-8-13)20-11-14-12-21-18-6-4-3-5-16(14)18/h3-10,12,17,19H,2,11H2,1H3
InChIKeyGOUXWXGHZZZFEB-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.92
Rot. Bonds5

About 1-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propan-1-ol

1-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propan-1-ol (PubChem CID 63738620) has the molecular formula C18H18O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propan-1-ol
PubChem CID63738620
Molecular FormulaC18H18O2S
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Name1-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(OCc2csc3ccccc23)cc1
InChIInChI=1S/C18H18O2S/c1-2-17(19)13-7-9-15(10-8-13)20-11-14-12-21-18-6-4-3-5-16(14)18/h3-10,12,17,19H,2,11H2,1H3
InChIKeyGOUXWXGHZZZFEB-UHFFFAOYSA-N
XLogP4.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propanoic acid
CID 23082921
2-(1-benzothiophen-3-ylmethylamino)-1-(4-methoxyphenyl)ethanol
CID 110889955
2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol
CID 63736721
(1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 63532785
3-(propan-2-yloxymethyl)-1-benzothiophene
CID 117170953
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 107306798
1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol
CID 43504474
(1S)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol
CID 55189009
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
3-[(2-methoxyphenoxy)methyl]-1-benzothiophene
CID 117170894
4-(1-benzothiophen-3-ylmethoxy)-2-chloroaniline
CID 55230322

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propan-1-ol?
The IUPAC name of 1-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propan-1-ol (CID 63738620) is 1-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propan-1-ol?
The canonical SMILES for 1-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propan-1-ol is CCC(O)c1ccc(OCc2csc3ccccc23)cc1.
What is the InChIKey of 1-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propan-1-ol?
The InChIKey is GOUXWXGHZZZFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2S/c1-2-17(19)13-7-9-15(10-8-13)20-11-14-12-21-18-6-4-3-5-16(14)18/h3-10,12,17,19H,2,11H2,1H3.
What are the key properties of 1-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propan-1-ol?
1-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propan-1-ol has a molecular weight of 298.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 63738620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).