(S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol

C14H16O2S — CID 97293168

IUPAC(S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol
SMILESCOc1c(C)cc([C@H](O)c2ccsc2)cc1C
InChIInChI=1S/C14H16O2S/c1-9-6-12(7-10(2)14(9)16-3)13(15)11-4-5-17-8-11/h4-8,13,15H,1-3H3/t13-/m1/s1
InChIKeyHICNDVIUQWGTGH-CYBMUJFWSA-N
MW248.35 g/mol
LogP3.46
Rot. Bonds3

About (S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol

(S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol (PubChem CID 97293168) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is (S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol
PubChem CID97293168
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name(S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol
SMILESCOc1c(C)cc([C@H](O)c2ccsc2)cc1C
InChIInChI=1S/C14H16O2S/c1-9-6-12(7-10(2)14(9)16-3)13(15)11-4-5-17-8-11/h4-8,13,15H,1-3H3/t13-/m1/s1
InChIKeyHICNDVIUQWGTGH-CYBMUJFWSA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 97293171
(4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 65296943
(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171231254
(3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol
CID 115805659
(3,5-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83068712
(5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 107964365
(4-methoxy-3,5-dimethylphenyl)-(3-methylfuran-2-yl)methanol
CID 83068781
(3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83067897
(3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol
CID 65099500
(4-methoxythiophen-2-yl)-thiophen-3-ylmethanol
CID 115805532
(5-bromo-2-methylphenyl)-thiophen-3-ylmethanol
CID 115805475
(4-methoxy-3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 83068716

Frequently Asked Questions

What is the IUPAC name of (S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol?
The IUPAC name of (S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol (CID 97293168) is (S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol.
What is the SMILES notation for (S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol?
The canonical SMILES for (S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol is COc1c(C)cc([C@H](O)c2ccsc2)cc1C.
What is the InChIKey of (S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol?
The InChIKey is HICNDVIUQWGTGH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16O2S/c1-9-6-12(7-10(2)14(9)16-3)13(15)11-4-5-17-8-11/h4-8,13,15H,1-3H3/t13-/m1/s1.
What are the key properties of (S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol?
(S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol has a molecular weight of 248.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol is sourced from PubChem (CID 97293168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).