2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol

C19H20OS — CID 66057840

IUPAC2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CC(CO)Cc1csc2ccccc12
InChIInChI=1S/C19H20OS/c1-14-6-2-3-7-16(14)10-15(12-20)11-17-13-21-19-9-5-4-8-18(17)19/h2-9,13,15,20H,10-12H2,1H3
InChIKeyXYTAVYLRWOTCGW-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.60
Rot. Bonds5

About 2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol

2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol (PubChem CID 66057840) has the molecular formula C19H20OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol
PubChem CID66057840
Molecular FormulaC19H20OS
Molecular Weight296.44 g/mol
Exact Mass296.12
IUPAC Name2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1CC(CO)Cc1csc2ccccc12
InChIInChI=1S/C19H20OS/c1-14-6-2-3-7-16(14)10-15(12-20)11-17-13-21-19-9-5-4-8-18(17)19/h2-9,13,15,20H,10-12H2,1H3
InChIKeyXYTAVYLRWOTCGW-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.60
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-(4-chlorophenyl)propan-1-ol
CID 66059041
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
2-[(3-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057841
2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol
CID 63736721
3-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-1-benzothiophene
CID 66043559
2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057630
2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol
CID 65150146
1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097364
2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol
CID 115250957
1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol
CID 63739171

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol?
The IUPAC name of 2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol (CID 66057840) is 2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol is Cc1ccccc1CC(CO)Cc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol?
The InChIKey is XYTAVYLRWOTCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20OS/c1-14-6-2-3-7-16(14)10-15(12-20)11-17-13-21-19-9-5-4-8-18(17)19/h2-9,13,15,20H,10-12H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol?
2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol has a molecular weight of 296.44 g/mol, XLogP of 4.60, 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-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 66057840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).