(4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanol

C13H18O2S — CID 80622075

IUPAC(4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanol
SMILESCOc1ccc(C(O)C2CCCS2)c(C)c1
InChIInChI=1S/C13H18O2S/c1-9-8-10(15-2)5-6-11(9)13(14)12-4-3-7-16-12/h5-6,8,12-14H,3-4,7H2,1-2H3
InChIKeyFANJZIZDUAHHCU-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.93
Rot. Bonds3

About (4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanol

(4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanol (PubChem CID 80622075) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanol.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanol
PubChem CID80622075
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name(4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanol
SMILESCOc1ccc(C(O)C2CCCS2)c(C)c1
InChIInChI=1S/C13H18O2S/c1-9-8-10(15-2)5-6-11(9)13(14)12-4-3-7-16-12/h5-6,8,12-14H,3-4,7H2,1-2H3
InChIKeyFANJZIZDUAHHCU-UHFFFAOYSA-N
XLogP2.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-(thian-2-yl)methanol
CID 80622350
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanol
CID 80560362
(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol
CID 82769769
(4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595654
(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105082980
(4-methoxy-2-methylphenyl)-(4-propylcyclohexyl)methanol
CID 65423725
(4-propan-2-yloxyphenyl)-(thiolan-2-yl)methanol
CID 80621973
1-[hydroxy-(4-methoxy-2-methylphenyl)methyl]cycloheptan-1-ol
CID 103452088
(4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanone
CID 80621939
1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 55091680
(3-methoxyphenyl)-(thiolan-2-yl)methanamine
CID 80622358
1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanol?
The IUPAC name of (4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanol (CID 80622075) is (4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanol.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanol?
The canonical SMILES for (4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanol is COc1ccc(C(O)C2CCCS2)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanol?
The InChIKey is FANJZIZDUAHHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-9-8-10(15-2)5-6-11(9)13(14)12-4-3-7-16-12/h5-6,8,12-14H,3-4,7H2,1-2H3.
What are the key properties of (4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanol?
(4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanol has a molecular weight of 238.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanol is sourced from PubChem (CID 80622075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).