3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol

C18H18O2S — CID 116756762

IUPAC3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol
SMILESCOC(c1ccccc1)C(O)Cc1csc2ccccc12
InChIInChI=1S/C18H18O2S/c1-20-18(13-7-3-2-4-8-13)16(19)11-14-12-21-17-10-6-5-9-15(14)17/h2-10,12,16,18-19H,11H2,1H3
InChIKeyGMBAWMXISHWYKM-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.19
Rot. Bonds5

About 3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol

3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol (PubChem CID 116756762) has the molecular formula C18H18O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol
PubChem CID116756762
Molecular FormulaC18H18O2S
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Name3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol
SMILESCOC(c1ccccc1)C(O)Cc1csc2ccccc12
InChIInChI=1S/C18H18O2S/c1-20-18(13-7-3-2-4-8-13)16(19)11-14-12-21-17-10-6-5-9-15(14)17/h2-10,12,16,18-19H,11H2,1H3
InChIKeyGMBAWMXISHWYKM-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol
CID 63739171
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol
CID 116756868
3-(1-benzothiophen-3-yl)-2-phenylpropan-1-amine
CID 65429469
2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol
CID 63736721
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
3-(3-chloro-2-phenylpropyl)-1-benzothiophene
CID 66033225
1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 63738831
1-methoxy-1-phenylbutan-2-ol
CID 116756893
methyl 2-amino-3-(1-benzothiophen-3-yl)propanoate;hydrochloride
CID 68769670
3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116756862

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol?
The IUPAC name of 3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol (CID 116756762) is 3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol is COC(c1ccccc1)C(O)Cc1csc2ccccc12.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol?
The InChIKey is GMBAWMXISHWYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2S/c1-20-18(13-7-3-2-4-8-13)16(19)11-14-12-21-17-10-6-5-9-15(14)17/h2-10,12,16,18-19H,11H2,1H3.
What are the key properties of 3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol?
3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol has a molecular weight of 298.41 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol is sourced from PubChem (CID 116756762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).