3-(2-phenyl-1-benzothiophen-3-yl)propan-1-ol

C17H16OS — CID 53320173

IUPAC3-(2-phenyl-1-benzothiophen-3-yl)propan-1-ol
SMILESOCCCc1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C17H16OS/c18-12-6-10-15-14-9-4-5-11-16(14)19-17(15)13-7-2-1-3-8-13/h1-5,7-9,11,18H,6,10,12H2
InChIKeyBEFBNRQHUWFOKM-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.49
Rot. Bonds4

About 3-(2-phenyl-1-benzothiophen-3-yl)propan-1-ol

3-(2-phenyl-1-benzothiophen-3-yl)propan-1-ol (PubChem CID 53320173) has the molecular formula C17H16OS and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-(2-phenyl-1-benzothiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-phenyl-1-benzothiophen-3-yl)propan-1-ol
PubChem CID53320173
Molecular FormulaC17H16OS
Molecular Weight268.38 g/mol
Exact Mass268.09
IUPAC Name3-(2-phenyl-1-benzothiophen-3-yl)propan-1-ol
SMILESOCCCc1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C17H16OS/c18-12-6-10-15-14-9-4-5-11-16(14)19-17(15)13-7-2-1-3-8-13/h1-5,7-9,11,18H,6,10,12H2
InChIKeyBEFBNRQHUWFOKM-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzothiophen-3-ylmethanol
CID 2776342
2-(Hydroxymethyl)benzo[b]thiophene
CID 2776335
6-[2-(3-Thienyl)benzothiophen-3-yl]hex-5-yn-1-ol
CID 24792638
Cyclohexanol, 1-benzo[b]thien-2-yl-
CID 398367
(2-(Benzo[b]thiophen-2-yl)phenyl)methanol
CID 46228230
3-(2-Phenyl-1-benzothiophen-3-yl)prop-2-yn-1-ol
CID 44245182
Benzo(b)thiophene-2-ethanol
CID 280609
3-Methylbenzo(b)thiophene-2-methanol
CID 601293
2,8-Dihydroxymethyldibenzothiophene
CID 12412129
Hydroxymethyldibenzothiophene
CID 13128329
4-Dibenzothiophenemethanol
CID 13815324
2-(Benzo[b]thiophen-3-yl)ethanol
CID 15852206

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyl-1-benzothiophen-3-yl)propan-1-ol?
The IUPAC name of 3-(2-phenyl-1-benzothiophen-3-yl)propan-1-ol (CID 53320173) is 3-(2-phenyl-1-benzothiophen-3-yl)propan-1-ol.
What is the SMILES notation for 3-(2-phenyl-1-benzothiophen-3-yl)propan-1-ol?
The canonical SMILES for 3-(2-phenyl-1-benzothiophen-3-yl)propan-1-ol is OCCCc1c(-c2ccccc2)sc2ccccc12.
What is the InChIKey of 3-(2-phenyl-1-benzothiophen-3-yl)propan-1-ol?
The InChIKey is BEFBNRQHUWFOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16OS/c18-12-6-10-15-14-9-4-5-11-16(14)19-17(15)13-7-2-1-3-8-13/h1-5,7-9,11,18H,6,10,12H2.
What are the key properties of 3-(2-phenyl-1-benzothiophen-3-yl)propan-1-ol?
3-(2-phenyl-1-benzothiophen-3-yl)propan-1-ol has a molecular weight of 268.38 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyl-1-benzothiophen-3-yl)propan-1-ol is sourced from PubChem (CID 53320173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).