(S)-(4-methylphenyl)-thiophen-2-ylmethanol

C12H12OS — CID 92981469

IUPAC(S)-(4-methylphenyl)-thiophen-2-ylmethanol
SMILESCc1ccc([C@H](O)c2cccs2)cc1
InChIInChI=1S/C12H12OS/c1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11/h2-8,12-13H,1H3/t12-/m0/s1
InChIKeyWPDHDEMXVCYDBV-LBPRGKRZSA-N
MW204.29 g/mol
LogP3.14
Rot. Bonds2

About (S)-(4-methylphenyl)-thiophen-2-ylmethanol

(S)-(4-methylphenyl)-thiophen-2-ylmethanol (PubChem CID 92981469) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is (S)-(4-methylphenyl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(S)-(4-methylphenyl)-thiophen-2-ylmethanol
PubChem CID92981469
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name(S)-(4-methylphenyl)-thiophen-2-ylmethanol
SMILESCc1ccc([C@H](O)c2cccs2)cc1
InChIInChI=1S/C12H12OS/c1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11/h2-8,12-13H,1H3/t12-/m0/s1
InChIKeyWPDHDEMXVCYDBV-LBPRGKRZSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzothiophen-3-ylmethanol
CID 2776342
2-(Hydroxymethyl)benzo[b]thiophene
CID 2776335
Phenyl(2-thienyl)methanol
CID 2741016
1-hydroxy-3-thiophen-2-yl-3H-2,1-benzoxaborole
CID 164627328
Diphenyl(thiophen-2-yl)methanol
CID 315631
{2-[Dimethyl(thiophen-2-yl)silyl]phenyl}methanol
CID 11242115
4-Ethyl-2-thiophenemethanol
CID 23261287
1-Benzothiophen-6-ylmethanol
CID 13540121
3-(3-Chlorophenyl)-1-(2-thienyl)-1-propanol
CID 2768269
7-Hydroxy-7-[3-(3-phenyl-propyl)-thiophen-2-yl]-heptanoic acid
CID 15666631
1,1,1,3,3,3-Hexafluoro-2-(4-thiophen-2-ylphenyl)propan-2-ol
CID 102004321
O-[phenyl(thiophen-3-yl)methyl]hydroxylamine;hydrochloride
CID 155552938

Frequently Asked Questions

What is the IUPAC name of (S)-(4-methylphenyl)-thiophen-2-ylmethanol?
The IUPAC name of (S)-(4-methylphenyl)-thiophen-2-ylmethanol (CID 92981469) is (S)-(4-methylphenyl)-thiophen-2-ylmethanol.
What is the SMILES notation for (S)-(4-methylphenyl)-thiophen-2-ylmethanol?
The canonical SMILES for (S)-(4-methylphenyl)-thiophen-2-ylmethanol is Cc1ccc([C@H](O)c2cccs2)cc1.
What is the InChIKey of (S)-(4-methylphenyl)-thiophen-2-ylmethanol?
The InChIKey is WPDHDEMXVCYDBV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H12OS/c1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11/h2-8,12-13H,1H3/t12-/m0/s1.
What are the key properties of (S)-(4-methylphenyl)-thiophen-2-ylmethanol?
(S)-(4-methylphenyl)-thiophen-2-ylmethanol has a molecular weight of 204.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-methylphenyl)-thiophen-2-ylmethanol is sourced from PubChem (CID 92981469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).