1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol

C18H18O2S — CID 63738831

IUPAC1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2csc3ccccc23)cc1
InChIInChI=1S/C18H18O2S/c1-20-16-8-6-13(7-9-16)10-15(19)11-14-12-21-18-5-3-2-4-17(14)18/h2-9,12,15,19H,10-11H2,1H3
InChIKeyCDSYMLILVIIIMT-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.06
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol

1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol (PubChem CID 63738831) has the molecular formula C18H18O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol
PubChem CID63738831
Molecular FormulaC18H18O2S
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Name1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2csc3ccccc23)cc1
InChIInChI=1S/C18H18O2S/c1-20-16-8-6-13(7-9-16)10-15(19)11-14-12-21-18-5-3-2-4-17(14)18/h2-9,12,15,19H,10-11H2,1H3
InChIKeyCDSYMLILVIIIMT-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine
CID 63738834
1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol
CID 63739171
1-(1-benzothiophen-3-yl)-3-thiophen-3-ylpropan-2-ol
CID 105083372
N-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine
CID 60704248
1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 63737758
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61373626
1-(2-fluorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61373072
1-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 119106181
3-(2-methyl-3-phenylpropyl)-1-benzothiophene
CID 4715035
2-(1-benzothiophen-3-ylmethylamino)-1-(4-methoxyphenyl)ethanol
CID 110889955
1-(1-benzothiophen-3-yl)-4-(dimethylamino)butan-2-ol
CID 113291149

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol (CID 63738831) is 1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol is COc1ccc(CC(O)Cc2csc3ccccc23)cc1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol?
The InChIKey is CDSYMLILVIIIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2S/c1-20-16-8-6-13(7-9-16)10-15(19)11-14-12-21-18-5-3-2-4-17(14)18/h2-9,12,15,19H,10-11H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol?
1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol has a molecular weight of 298.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 63738831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).