1-(1-benzothiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanol

C18H18O2S — CID 115781415

IUPAC1-(1-benzothiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)c1cc2ccccc2s1
InChIInChI=1S/C18H18O2S/c1-12-7-8-16(20-2)14(9-12)10-15(19)18-11-13-5-3-4-6-17(13)21-18/h3-9,11,15,19H,10H2,1-2H3
InChIKeyPXMXKTPBFPJKHH-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.49
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanol

1-(1-benzothiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 115781415) has the molecular formula C18H18O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanol
PubChem CID115781415
Molecular FormulaC18H18O2S
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Name1-(1-benzothiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)c1cc2ccccc2s1
InChIInChI=1S/C18H18O2S/c1-12-7-8-16(20-2)14(9-12)10-15(19)18-11-13-5-3-4-6-17(13)21-18/h3-9,11,15,19H,10H2,1-2H3
InChIKeyPXMXKTPBFPJKHH-UHFFFAOYSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788688
1-(2-aminophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 64833173
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63895079
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
1-(1-benzothiophen-2-yl)-3-methylbutan-1-ol
CID 114976256
1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947333
1-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 105083533
1-(1-benzothiophen-2-yl)nonan-1-ol
CID 115784008
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65101453
1-(furan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63895146

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanol (CID 115781415) is 1-(1-benzothiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanol is COc1ccc(C)cc1CC(O)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is PXMXKTPBFPJKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2S/c1-12-7-8-16(20-2)14(9-12)10-15(19)18-11-13-5-3-4-6-17(13)21-18/h3-9,11,15,19H,10H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanol?
1-(1-benzothiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanol has a molecular weight of 298.41 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 115781415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).