3-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol

C18H20OS — CID 79421193

IUPAC3-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(CO)CC1Cc2ccccc2S1
InChIInChI=1S/C18H20OS/c1-13-6-2-4-8-17(13)15(12-19)11-16-10-14-7-3-5-9-18(14)20-16/h2-9,15-16,19H,10-12H2,1H3
InChIKeyUOHZHBYLMQAYHB-UHFFFAOYSA-N
MW284.42 g/mol
LogP4.18
Rot. Bonds4

About 3-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol

3-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol (PubChem CID 79421193) has the molecular formula C18H20OS and a molecular weight of 284.42 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
PubChem CID79421193
Molecular FormulaC18H20OS
Molecular Weight284.42 g/mol
Exact Mass284.12
IUPAC Name3-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(CO)CC1Cc2ccccc2S1
InChIInChI=1S/C18H20OS/c1-13-6-2-4-8-17(13)15(12-19)11-16-10-14-7-3-5-9-18(14)20-16/h2-9,15-16,19H,10-12H2,1H3
InChIKeyUOHZHBYLMQAYHB-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)propan-1-ol
CID 79438467
(1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 81374444
2-(3-bromo-2-methylbutyl)-2,3-dihydro-1-benzothiophene
CID 79228756
2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol
CID 105091980
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine
CID 79228415
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-propan-2-ylpropane-1,3-diol
CID 79450376
2-(4-bromo-2-methylpentyl)-2,3-dihydro-1-benzothiophene
CID 79224341
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine
CID 79223273
2-(3-chlorophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 79433944
2-(2-methylpropylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 79326208
2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 79433827

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol (CID 79421193) is 3-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol is Cc1ccccc1C(CO)CC1Cc2ccccc2S1.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol?
The InChIKey is UOHZHBYLMQAYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OS/c1-13-6-2-4-8-17(13)15(12-19)11-16-10-14-7-3-5-9-18(14)20-16/h2-9,15-16,19H,10-12H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol?
3-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol has a molecular weight of 284.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 79421193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).