(2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol

C16H18O2S — CID 105078447

IUPAC(2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
SMILESCOc1ccccc1C(O)C1CCCc2sccc21
InChIInChI=1S/C16H18O2S/c1-18-14-7-3-2-5-13(14)16(17)12-6-4-8-15-11(12)9-10-19-15/h2-3,5,7,9-10,12,16-17H,4,6,8H2,1H3
InChIKeyRERVXLDDUVUGIZ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.91
Rot. Bonds3

About (2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol

(2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol (PubChem CID 105078447) has the molecular formula C16H18O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is (2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name(2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
PubChem CID105078447
Molecular FormulaC16H18O2S
Molecular Weight274.39 g/mol
Exact Mass274.10
IUPAC Name(2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
SMILESCOc1ccccc1C(O)C1CCCc2sccc21
InChIInChI=1S/C16H18O2S/c1-18-14-7-3-2-5-13(14)16(17)12-6-4-8-15-11(12)9-10-19-15/h2-3,5,7,9-10,12,16-17H,4,6,8H2,1H3
InChIKeyRERVXLDDUVUGIZ-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105092056
(4-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105110803
2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one
CID 132822025
3,4-dihydro-2H-chromen-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105130614
(5-bromo-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105113661
methyl 5-[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]furan-2-carboxylate
CID 106947117
(4-chloro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105164498
pyridin-3-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105079451
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol
CID 105083105
4,5,6,7-tetrahydro-1-benzothiophen-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102710138
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105186404
4-(2-methoxyphenyl)-1-[2-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]piperidine;oxalic acid
CID 68912988

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
The IUPAC name of (2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol (CID 105078447) is (2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for (2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
The canonical SMILES for (2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol is COc1ccccc1C(O)C1CCCc2sccc21.
What is the InChIKey of (2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
The InChIKey is RERVXLDDUVUGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-18-14-7-3-2-5-13(14)16(17)12-6-4-8-15-11(12)9-10-19-15/h2-3,5,7,9-10,12,16-17H,4,6,8H2,1H3.
What are the key properties of (2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol?
(2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol has a molecular weight of 274.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 105078447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).