(2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol

C15H22OS — CID 105095767

IUPAC(2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)C2(C)CCCS2)cc1
InChIInChI=1S/C15H22OS/c1-11(2)12-5-7-13(8-6-12)14(16)15(3)9-4-10-17-15/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyCSNOMFRCUBWRPA-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.13
Rot. Bonds3

About (2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol

(2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol (PubChem CID 105095767) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is (2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol
PubChem CID105095767
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name(2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)C2(C)CCCS2)cc1
InChIInChI=1S/C15H22OS/c1-11(2)12-5-7-13(8-6-12)14(16)15(3)9-4-10-17-15/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyCSNOMFRCUBWRPA-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol
CID 105091741
(2-methylthiolan-2-yl)-thiophen-3-ylmethanol
CID 105102774
(3-fluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105078411
(2-chlorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105079871
(2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105397588
(2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105094902
(2-methyloxan-2-yl)-(4-propan-2-ylphenyl)methanol
CID 80685466
1-[hydroxy-(4-propan-2-ylphenyl)methyl]cycloheptane-1-carbonitrile
CID 79136509
(2-methylthiolan-2-yl)-(1-methyltriazol-4-yl)methanol
CID 130603752
2-amino-1-(2-methylthiolan-2-yl)ethanol
CID 115012704
2-hydroxy-2-(2-methylthiolan-2-yl)acetonitrile
CID 127002714
4-[hydroxy-(2-methyl-1,3-dithian-2-yl)methyl]benzaldehyde
CID 10611988

Frequently Asked Questions

What is the IUPAC name of (2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol?
The IUPAC name of (2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol (CID 105095767) is (2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for (2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for (2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc(C(O)C2(C)CCCS2)cc1.
What is the InChIKey of (2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol?
The InChIKey is CSNOMFRCUBWRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c1-11(2)12-5-7-13(8-6-12)14(16)15(3)9-4-10-17-15/h5-8,11,14,16H,4,9-10H2,1-3H3.
What are the key properties of (2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol?
(2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol has a molecular weight of 250.41 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 105095767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).