2-(1-benzothiophen-3-ylmethyl)-3-(4-chlorophenyl)propan-1-ol

C18H17ClOS — CID 66059041

IUPAC2-(1-benzothiophen-3-ylmethyl)-3-(4-chlorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(Cl)cc1)Cc1csc2ccccc12
InChIInChI=1S/C18H17ClOS/c19-16-7-5-13(6-8-16)9-14(11-20)10-15-12-21-18-4-2-1-3-17(15)18/h1-8,12,14,20H,9-11H2
InChIKeyNCPOVIZHLKFTQR-UHFFFAOYSA-N
MW316.85 g/mol
LogP4.95
Rot. Bonds5

About 2-(1-benzothiophen-3-ylmethyl)-3-(4-chlorophenyl)propan-1-ol

2-(1-benzothiophen-3-ylmethyl)-3-(4-chlorophenyl)propan-1-ol (PubChem CID 66059041) has the molecular formula C18H17ClOS and a molecular weight of 316.85 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylmethyl)-3-(4-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylmethyl)-3-(4-chlorophenyl)propan-1-ol
PubChem CID66059041
Molecular FormulaC18H17ClOS
Molecular Weight316.85 g/mol
Exact Mass316.07
IUPAC Name2-(1-benzothiophen-3-ylmethyl)-3-(4-chlorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(Cl)cc1)Cc1csc2ccccc12
InChIInChI=1S/C18H17ClOS/c19-16-7-5-13(6-8-16)9-14(11-20)10-15-12-21-18-4-2-1-3-17(15)18/h1-8,12,14,20H,9-11H2
InChIKeyNCPOVIZHLKFTQR-UHFFFAOYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(1-benzothiophen-3-yl)propan-1-ol
CID 63738868
2-(1-benzothiophen-3-ylmethyl)-3-(3-methylphenyl)propan-1-ol
CID 66060121
2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol
CID 66057840
3-[3-bromo-2-(4-chlorophenyl)propyl]-1-benzothiophene
CID 79434965
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 63738831
2-(1-benzothiophen-3-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 115823854
2-(1-benzothiophen-3-yl)-1-(2-chloro-6-fluorophenyl)ethanol
CID 65151095
2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol
CID 65150174
(1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-chlorophenyl)ethanamine
CID 81353422
3-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-1-benzothiophene
CID 66043559
1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 63739349

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylmethyl)-3-(4-chlorophenyl)propan-1-ol?
The IUPAC name of 2-(1-benzothiophen-3-ylmethyl)-3-(4-chlorophenyl)propan-1-ol (CID 66059041) is 2-(1-benzothiophen-3-ylmethyl)-3-(4-chlorophenyl)propan-1-ol.
What is the SMILES notation for 2-(1-benzothiophen-3-ylmethyl)-3-(4-chlorophenyl)propan-1-ol?
The canonical SMILES for 2-(1-benzothiophen-3-ylmethyl)-3-(4-chlorophenyl)propan-1-ol is OCC(Cc1ccc(Cl)cc1)Cc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-ylmethyl)-3-(4-chlorophenyl)propan-1-ol?
The InChIKey is NCPOVIZHLKFTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClOS/c19-16-7-5-13(6-8-16)9-14(11-20)10-15-12-21-18-4-2-1-3-17(15)18/h1-8,12,14,20H,9-11H2.
What are the key properties of 2-(1-benzothiophen-3-ylmethyl)-3-(4-chlorophenyl)propan-1-ol?
2-(1-benzothiophen-3-ylmethyl)-3-(4-chlorophenyl)propan-1-ol has a molecular weight of 316.85 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-ylmethyl)-3-(4-chlorophenyl)propan-1-ol is sourced from PubChem (CID 66059041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).