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

C19H20OS — CID 66060121

IUPAC2-(1-benzothiophen-3-ylmethyl)-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CC(CO)Cc2csc3ccccc23)c1
InChIInChI=1S/C19H20OS/c1-14-5-4-6-15(9-14)10-16(12-20)11-17-13-21-19-8-3-2-7-18(17)19/h2-9,13,16,20H,10-12H2,1H3
InChIKeyRWAAJXMGLBPSBU-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.60
Rot. Bonds5

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

2-(1-benzothiophen-3-ylmethyl)-3-(3-methylphenyl)propan-1-ol (PubChem CID 66060121) has the molecular formula C19H20OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylmethyl)-3-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylmethyl)-3-(3-methylphenyl)propan-1-ol
PubChem CID66060121
Molecular FormulaC19H20OS
Molecular Weight296.44 g/mol
Exact Mass296.12
IUPAC Name2-(1-benzothiophen-3-ylmethyl)-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CC(CO)Cc2csc3ccccc23)c1
InChIInChI=1S/C19H20OS/c1-14-5-4-6-15(9-14)10-16(12-20)11-17-13-21-19-8-3-2-7-18(17)19/h2-9,13,16,20H,10-12H2,1H3
InChIKeyRWAAJXMGLBPSBU-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

1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine
CID 63737079
2-(1-benzothiophen-3-ylmethyl)-3-(2-methylphenyl)propan-1-ol
CID 66057840
2-(1-benzothiophen-3-ylmethyl)-3-(4-chlorophenyl)propan-1-ol
CID 66059041
2-(aminomethyl)-3-(1-benzothiophen-3-yl)propan-1-ol
CID 63738868
2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001620
2-[(5-chloro-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 103051205
2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 66058853
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 102621201
2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 66059065
1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 63739349
2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 103041983

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylmethyl)-3-(3-methylphenyl)propan-1-ol?
The IUPAC name of 2-(1-benzothiophen-3-ylmethyl)-3-(3-methylphenyl)propan-1-ol (CID 66060121) is 2-(1-benzothiophen-3-ylmethyl)-3-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(1-benzothiophen-3-ylmethyl)-3-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(1-benzothiophen-3-ylmethyl)-3-(3-methylphenyl)propan-1-ol is Cc1cccc(CC(CO)Cc2csc3ccccc23)c1.
What is the InChIKey of 2-(1-benzothiophen-3-ylmethyl)-3-(3-methylphenyl)propan-1-ol?
The InChIKey is RWAAJXMGLBPSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20OS/c1-14-5-4-6-15(9-14)10-16(12-20)11-17-13-21-19-8-3-2-7-18(17)19/h2-9,13,16,20H,10-12H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-ylmethyl)-3-(3-methylphenyl)propan-1-ol?
2-(1-benzothiophen-3-ylmethyl)-3-(3-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-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 66060121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).