(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol

C14H20OS — CID 105091741

IUPAC(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol
SMILESCc1ccc(C(O)C2(C)CCCS2)cc1C
InChIInChI=1S/C14H20OS/c1-10-5-6-12(9-11(10)2)13(15)14(3)7-4-8-16-14/h5-6,9,13,15H,4,7-8H2,1-3H3
InChIKeyWWELANUBWVRLOR-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.62
Rot. Bonds2

About (3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol

(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol (PubChem CID 105091741) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol
PubChem CID105091741
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol
SMILESCc1ccc(C(O)C2(C)CCCS2)cc1C
InChIInChI=1S/C14H20OS/c1-10-5-6-12(9-11(10)2)13(15)14(3)7-4-8-16-14/h5-6,9,13,15H,4,7-8H2,1-3H3
InChIKeyWWELANUBWVRLOR-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol
CID 105095767
[(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methyl]hydrazine
CID 105300299
(2-methylthiolan-2-yl)-thiophen-3-ylmethanol
CID 105102774
(2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105094902
(2-chlorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105079871
(R)-(3,4-dimethylphenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol
CID 71117323
(2-methylthiolan-2-yl)-(1-methyltriazol-4-yl)methanol
CID 130603752
2-(2-bromo-5-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanol
CID 105088454
1-(3,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
CID 79038375
[1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol
CID 79138726
(3-fluoro-5-methylphenyl)-(2-methylthiolan-2-yl)methanamine
CID 105169976
(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanol
CID 79808123

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol?
The IUPAC name of (3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol (CID 105091741) is (3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol.
What is the SMILES notation for (3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol?
The canonical SMILES for (3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol is Cc1ccc(C(O)C2(C)CCCS2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol?
The InChIKey is WWELANUBWVRLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-10-5-6-12(9-11(10)2)13(15)14(3)7-4-8-16-14/h5-6,9,13,15H,4,7-8H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol?
(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol has a molecular weight of 236.38 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol is sourced from PubChem (CID 105091741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).